
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -9.2855    6.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7855    6.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0355    5.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5355    5.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7855    4.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    4.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    5.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    3.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    4.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    4.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    4.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    2.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    1.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    2.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088   -1.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7184   -3.1476    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812   -4.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1476    1.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1476    0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1476    4.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4466    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 21 26  1  0
 26 27  1  0
 16 28  1  0
 28 29  1  0
 15 30  1  0
 30 31  1  0
 14 32  1  0
 32 33  1  0
 25  9  1  0
 17 12  1  0
 25 18  1  0
M  END
$$$$

     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.8863   -8.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -6.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -6.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9955   -4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627   -4.5501    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.4664   -3.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336   -3.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9373   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4738   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0066   -0.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0029   -2.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9262   -5.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -7.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3861   -8.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8533   -8.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8570   -7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3934   -6.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -8.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  4 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 22 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
  2 35  1  0
  6  2  1  0
 14  9  1  0
 20 15  1  0
 28 23  1  0
 34 29  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899    3.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046    4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037    4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918    2.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740    4.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875    3.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478    6.4639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5773    4.2803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 11 16  1  0
 10 17  1  0
  2 18  1  0
  8  1  1  0
 13  9  1  0
M  END
$$$$

     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -6.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958   -7.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161   -8.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925  -10.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935  -11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972  -10.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6550   -9.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
  9 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 22  6  1  0
 18  8  1  0
 17 12  1  0
 29 23  1  0
M  END
$$$$

     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2537  -10.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6240   -9.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4672   -8.1061    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9231  -10.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9418  -11.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000  -10.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 21 25  1  0
 20 26  1  0
 26 27  2  0
 26 28  1  0
 14  4  1  0
 12  7  1  0
 28 17  1  0
 23 19  1  0
M  END
$$$$

     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    7.7942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
  7 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 23 26  1  0
 18 27  1  0
 27  5  1  0
 14  9  1  0
 25 20  1  0
M  END
$$$$

     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1317    0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1317    2.5126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7718    2.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6682   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416   -1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416   -3.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6682   -3.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5498   -2.5546    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 11 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
  6  1  1  0
 14 10  1  0
 20 16  1  0
M  END
$$$$

     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1807    0.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5511   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7079   -1.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4943   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8963   -3.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1953   -4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4943   -3.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0782   -2.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2350   -3.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917   -1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6620   -1.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8755   -0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2459   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4027   -3.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1891   -3.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8188   -3.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7730   -3.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
  7  2  1  0
 14  4  1  0
 13  8  1  0
 17 12  1  0
 26 21  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.1170   -7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6904   -6.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3786   -5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -4.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491   -7.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5757   -7.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -4.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786   -5.1199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933   -4.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -6.5871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
  7  2  1  0
 17  9  1  0
 17 12  1  0
M  CHG  2  20   1  22  -1
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4918   -5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8037   -6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046   -7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899   -6.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  2  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8899   -6.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0046   -7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3037   -6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9918   -5.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6740   -7.4303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8308   -8.9221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8875   -6.5486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
  6  1  1  0
 10  4  1  0
 22 18  1  0
M  CHG  2  23   1  25  -1
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 As  0  0  0  0  0  3  0  0  0  0  0  0
    6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9 13  1  0
  8 14  1  0
  7 15  1  0
 11  6  1  0
M  END
$$$$

     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -8.3464   -5.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9199   -4.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6080   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1814   -2.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0667   -3.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3786   -5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051   -5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -3.1891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1036   -1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -4.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -4.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786   -5.1199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933   -4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1814   -2.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -2.1855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2961   -1.6453    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.9199   -4.5797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 23 27  1  0
  7  2  1  0
 19 11  1  0
 19 14  1  0
 25 20  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000  -12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -12.9904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  9 16  1  0
  2 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 15 10  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -5.1962    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
  7  2  1  0
 11  4  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.2219   -7.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4354   -6.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786   -4.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4922   -4.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0193   -6.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8058   -6.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0760   -3.7412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9083   -4.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7515   -2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812   -2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1677   -3.0642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3245   -4.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948   -5.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7974   -2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406   -0.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838   -3.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7406   -4.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5271   -5.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568   -5.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0567   -5.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839   -7.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 19 32  1  0
  7  2  1  0
 14  9  1  0
 23 17  1  0
 30 22  1  0
 29 24  1  0
M  END
$$$$

     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6432    2.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1350    3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7451    1.7537    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7451    4.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8634    5.7079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716    5.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615    4.1807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2369    4.6511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8470    6.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3388    6.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2204    4.9647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6103    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1185    3.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  6 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
  5  1  1  0
  9  3  1  0
 12  8  1  0
 16 10  1  0
 22 17  1  0
 28 23  1  0
M  END
$$$$

     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 20 24  1  0
 24 25  2  0
 24 26  1  0
 13 27  1  0
 27 28  1  0
 19 10  1  0
 16 11  1  0
 23 18  1  0
M  CHG  2  24   1  26  -1
M  END
$$$$

     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.5773   -4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -3.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9955   -1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740   -4.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -3.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -6.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011   -6.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3579   -8.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1443   -9.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3011  -10.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6715  -11.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850  -10.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7282   -9.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2553  -11.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5543  -10.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6691  -11.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590  -12.7619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5672  -12.6051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  5 13  1  0
  4 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  6  2  1  0
 12  7  1  0
 23 18  1  0
 28 24  1  0
M  END
$$$$

     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000   -8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -5.8573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -7.3573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -9.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971  -10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -9.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 13  5  1  0
 12  7  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231   -2.5537    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1731   -1.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6731   -3.8527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221   -3.3037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0924   -2.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0961   -3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3461   -5.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8789   -4.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8752   -5.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3387   -7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8059   -7.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8096   -6.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3350   -8.4515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5879   -3.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1980   -2.2812    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 21 24  1  0
 17 25  1  0
 25 26  1  0
  8  3  1  0
 11  5  1  0
 19 15  1  0
 23 18  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.4289   -8.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1170   -7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2317   -6.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -6.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786   -5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933   -4.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -4.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17  9  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0082   -2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963   -4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9954   -4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1101   -3.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1522   -6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5225   -7.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6793   -8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4658   -9.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954   -8.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387   -7.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6226  -10.9392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500    3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 10 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
  6  1  1  0
 16 12  1  0
 22 17  1  0
 33 28  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.6913    8.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277    6.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    6.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435    6.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    5.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8710    3.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421    2.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5109    1.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7027    1.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3348    3.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2624    4.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6997    5.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5019    6.0648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099   -0.3727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 13 19  1  0
 10 20  1  0
 18  2  1  0
 12  8  1  0
M  END
$$$$

     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2418    1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5537    2.9231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2546    3.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.6694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0978    5.1648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275    5.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1437    5.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004    7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835    7.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2455    0.3411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 23 24  1  0
 12 25  1  0
  8  3  1  0
 15 11  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  5 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 15 23  1  0
 23  3  1  0
 12  7  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  7  2  1  0
 20  9  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2990   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -8.1073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  4 17  1  0
  3 18  1  0
  6  1  1  0
 11  7  1  0
 15  9  1  0
M  END
$$$$

     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.6640    3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1640    3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    4.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    1.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140    1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    2.7135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    3.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    4.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078    3.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
 12  5  1  0
 10  6  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.2064  -10.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0496   -9.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4775   -7.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7360   -6.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478   -6.4639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -4.2221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -2.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -3.9684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -8.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 15 18  1  0
  2 19  1  0
 11  7  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    9.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   12.9904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  6  1  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    9.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    7.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455    5.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2127    5.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228    7.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3146    7.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6265    5.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274    4.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 14 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  4 36  1  0
  7  2  1  0
 12  5  1  0
 21 16  1  0
 29 25  1  0
 35 31  1  0
M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7227   -2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2961   -1.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1814   -2.6490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933   -4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199   -4.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -2.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838   -3.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -4.8275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271   -5.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -5.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567   -5.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2703   -6.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6839   -7.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  3  0
 18 23  1  0
 20  8  1  0
 14  9  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.4231   -5.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240   -4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537   -5.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672   -2.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418   -6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152   -6.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565   -7.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594   -9.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860   -9.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0978   -8.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9831   -7.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
  3 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
  6  2  1  0
 15  4  1  0
 12  7  1  0
 24 19  1  0
M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 12 23  1  0
  4 24  1  0
  6  1  1  0
 21 11  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    5.1962    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 10 15  1  0
  9 16  1  0
  5 17  1  0
  4 18  1  0
  2 19  1  0
  6  1  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817    3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817    1.3846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5218    0.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8921    1.5765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1056    0.6948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5322    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4139   -0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5322   -1.2687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1056   -0.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    5.2382    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  9 20  1  0
  3 21  1  0
  6  1  1  0
 12  8  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2990   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -8.1073    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 13 16  1  0
  4 17  1  0
  3 18  1  0
  6  1  1  0
 11  7  1  0
 15  9  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218    1.6317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3650    3.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9947    3.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5785    4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4217    5.4969    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8921   -1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1056   -1.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9488   -3.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5785   -4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3650   -3.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
  9 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  6  1  1  0
 11  7  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  6  1  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8921   -1.0216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0489    0.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4192    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6327    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4760   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1056   -1.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0031    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2166   -0.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1599    2.3005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9463    3.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1031    4.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4734    5.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6870    4.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5302    2.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6302    6.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4167    7.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5735    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9438    9.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1573    8.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0005    7.3860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
  8  3  1  0
 13  9  1  0
 21 16  1  0
 29 24  1  0
 35 30  1  0
M  END
$$$$

     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8265   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1256   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1256   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8265   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284   -3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
  5  1  1  0
  9  3  1  0
 14  7  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.5773   -6.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -6.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -7.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9955   -4.2382    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6740   -7.4303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -6.5486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -8.9221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 13 16  1  0
  5 17  1  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
  6  2  1  0
 15 10  1  0
M  CHG  2  18   1  20  -1
M  END
$$$$

     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5001   -6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1298   -7.0740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -6.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -7.3277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -8.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179   -8.5412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5761   -9.9970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261  -11.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761   -9.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740   -4.8322    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -4.9721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -3.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -2.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  3 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  6  2  1  0
 15 11  1  0
 21 16  1  0
M  CHG  2   7   1   9  -1
M  END
$$$$

     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.6740   -4.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -3.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478   -6.4639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6  2  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0365   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -7.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8901   -7.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2020   -8.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6286   -9.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433   -8.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1699   -8.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4314   -6.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0048   -6.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0082   -5.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918   -5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 15 26  1  1
 14 27  1  1
  5 28  1  1
  7  2  1  0
 11  2  1  0
 15 10  1  0
 18 14  1  0
 25 19  1  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.4240   -8.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537   -8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454   -8.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601   -7.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418   -6.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  6  2  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.9567   -9.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999   -7.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567   -5.9808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -5.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406   -6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4838   -7.7441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6973   -8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5405  -10.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7540  -10.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1244  -10.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812   -8.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0676   -8.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5972  -12.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269  -13.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -5.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271   -5.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -4.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838   -3.3357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 10 14  1  0
 14 15  1  0
  4 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  7  2  1  0
 13  8  1  0
 21 16  1  0
 28 20  1  0
 28 23  1  0
M  END
$$$$

     RDKit          2D

 36 42  0  0  0  0  0  0  0  0999 V2000
    3.0583   -8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -7.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317  -10.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583   -9.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718  -10.7249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000  -10.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -9.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -11.6913    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 15 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
  8 36  1  0
  5  1  1  0
 12  7  1  0
 19 10  1  0
 16 11  1  0
 27 14  1  0
 35 26  1  0
 35 30  1  0
M  END
$$$$

     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -6.7871   -0.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0990   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9843   -2.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2961   -4.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7227   -4.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1814   -5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7548   -4.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -5.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3786   -7.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4933   -6.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -5.3237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -5.3237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -7.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -8.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000  -10.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -8.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -12.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990  -12.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 13 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 28 31  1  0
 31 32  1  0
 11  6  1  0
 24 12  1  0
 24 15  1  0
 22 17  1  0
 30 25  1  0
M  END
$$$$

     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231   -4.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221   -1.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8789   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3461    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0961   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0924   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5559   -3.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0232   -4.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0269   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5633   -1.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4867   -5.5788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9562    1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0745    2.5838    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 16 24  1  0
 24 25  1  0
  8  3  1  0
 11  5  1  0
 18 14  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.5453   11.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1187   10.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8068    9.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655   10.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684    7.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6418    7.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    5.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967    5.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    3.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470    1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351    3.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736    1.2902    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6883    2.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1149    1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5784    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0784    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5419    1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3284    2.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    3.1443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    4.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    2.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 11 26  1  0
 26 27  2  0
 26 28  1  0
 18 10  1  0
 16 12  1  0
 25 21  1  0
M  CHG  2  26   1  28  -1
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -6.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
  9  4  1  0
 16 10  1  0
 20 14  1  0
M  END
$$$$

     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  1  1  0
  7  2  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4918    2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8037    4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5046    4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3899    3.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3478    6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9775    7.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8207    8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0342    9.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4046    8.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5613    7.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9317    6.7354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0885    5.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1452    7.6171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
  6  1  1  0
 15 11  1  0
 21 16  1  0
M  CHG  2  22   1  24  -1
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 17 20  1  0
  7  2  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  6  1  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.9499    4.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351    3.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    3.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    3.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470    1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6161   -0.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4026   -1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -2.8519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297   -3.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0865   -4.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1432   -2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9864   -1.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2000   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5703   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7838    0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6270    1.5565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1541   -0.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459   -3.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 15 25  1  0
 11  2  1  0
 10  6  1  0
 14  9  2  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -9.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 12 21  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
  7  2  1  0
 20 11  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -7.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 17 23  1  0
 23 24  1  0
 16 25  1  0
 25 26  1  0
 10 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
  7  2  1  0
 21 12  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.4470  -14.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6606  -13.4444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309  -14.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038  -11.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173  -11.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605   -9.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7740   -8.6974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -7.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -6.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -6.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740   -4.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -3.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -2.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2011   -6.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3579   -8.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1443   -9.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7282   -9.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850  -10.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2553  -11.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4688  -10.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3120   -8.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -8.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 10 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 16 12  1  0
 22 17  1  0
 32 27  1  0
M  END
$$$$

     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2172    1.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3740    3.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0037    3.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6731    3.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6731    5.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
  6  1  1  0
 11  4  1  0
 15  9  1  0
M  END
$$$$

     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.6546  -10.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8113   -8.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5978   -7.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546   -6.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537   -5.5211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418   -4.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399   -5.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727   -5.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2909   -7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -8.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7581   -7.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -1.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7455   -2.9392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -1.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2127   -3.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  7 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  6 22  1  0
 22 23  2  0
 22 24  1  0
  8  4  1  0
 21 16  1  0
M  CHG  2  22   1  24  -1
M  END
$$$$

     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
M  END
$$$$

     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
  -12.6056    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3921   -0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0218    0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5489   -1.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3354   -2.5210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9651   -1.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7515   -2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9083   -4.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6948   -5.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2786   -4.8945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4922   -4.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8625   -4.6229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4354   -6.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3812   -2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2244   -0.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1677   -3.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7974   -2.4540    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838   -3.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -4.8275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271   -5.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -5.0991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8083   -0.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
  7 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
  6 31  1  0
 11  5  1  0
 23 18  1  0
 26 22  1  0
 30 24  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  7  2  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 26 26  0  0  0  0  0  0  0  0999 V2000
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 15 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 13  7  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  6  1  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    9.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 20 25  1  0
 25 26  1  0
 19 27  1  0
 27 28  1  0
  8  3  1  0
 14  9  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -3.5757   -7.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6904   -6.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3786   -5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -4.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491   -7.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -4.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 10 17  1  0
 17 18  1  0
  6  1  1  0
 16  8  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672   -2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240   -4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537   -5.0118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418   -6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152   -6.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565   -7.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238   -7.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7738   -8.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2410   -8.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7045  -10.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008  -11.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2336  -11.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701   -9.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3998   -8.9745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2299  -12.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627  -11.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1643  -12.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1606  -13.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1717  -10.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6353  -11.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819   -1.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5085   -2.3698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 17 23  1  0
 23 24  1  0
 16 25  1  0
 25 26  1  0
  7 27  1  0
 27 28  1  0
  6 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34  3  1  0
  9  5  1  0
 20 12  1  0
 19 14  1  0
 34 29  1  0
M  END
$$$$

     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -9.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000  -12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
  7  2  1  0
 13  8  1  0
 22 17  1  0
 30 25  1  0
M  END
$$$$

     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -9.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -7.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  4 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 19 28  1  0
  7  2  1  0
 13  8  1  0
 27 18  1  0
 27 22  1  0
M  END
$$$$

     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
  9 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 23 26  1  0
 19 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
  8  3  1  0
 18 13  1  0
 25 20  1  0
M  END
$$$$

     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -2.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4418   -3.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0152   -4.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565   -4.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998   -6.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7701   -6.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2336   -8.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7008   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7045   -7.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2410   -6.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7738   -5.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0238   -4.5728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2447   -5.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7812   -3.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1717   -7.9222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1754   -6.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643  -10.1516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6316  -10.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0819    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5085    0.2283    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  1  0
 19 28  1  0
 28 29  1  0
 10 30  1  0
 30 31  1  0
  9  4  1  0
 12  6  1  0
 23 15  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -7.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 13 25  1  0
 25 26  1  0
 10 27  1  0
 21  8  1  0
 18  9  1  0
 16 11  1  0
M  CHG  2  22   1  24  -1
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 10 14  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    3.8971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 16 22  1  0
 22 23  1  0
 10  5  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672    0.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    2.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4418    3.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565    4.8847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2447    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181    6.8154    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594    7.3556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0475    8.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6209    9.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091   10.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238   11.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8504   11.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1622    9.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5888    9.3630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
  6  1  1  0
  9  4  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -7.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510   -4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490   -3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9918   -5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037   -6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046   -7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899   -6.5665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 11 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  4 29  1  0
  7  2  1  0
 27  9  1  0
 20 16  1  0
 26 21  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    2.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672    0.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    2.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    4.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211    4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211    2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    1.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3202    4.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6192    4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9182    4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2173    4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5163    4.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    6.3037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 13 22  1  0
  6  1  1  0
  9  4  1  0
 16 10  1  0
M  END
$$$$

     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6317    2.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6317    0.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2718   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150   -1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3285   -2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6988   -2.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8556   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6421    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1717   -4.1979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 24 28  1  0
  6  1  1  0
 13  8  1  0
 21 17  1  0
 27 22  1  0
M  END
$$$$

     RDKit          2D

 26 26  0  0  0  0  0  0  0  0999 V2000
   21.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 21 24  1  0
 24 25  2  0
 24 26  1  0
 23 18  1  0
M  END
$$$$

     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -2.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231   -2.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221   -0.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3202   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6192   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9182   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2173   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2173   -4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9182   -4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6192   -4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6439   -4.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5255   -3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6439   -2.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
  7  2  1  0
 10  4  1  0
 21 16  1  0
 24 18  1  0
M  END
$$$$

     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 15 21  1  0
  8  2  1  0
 13  7  1  0
 19 11  1  0
M  END
$$$$

     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -5.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7548   -2.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1814   -2.6490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2961   -1.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7227   -2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0346   -3.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9199   -4.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4933   -4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -2.1855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -4.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -7.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757   -7.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -6.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786   -5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -9.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729  -10.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
  3 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 24 27  1  0
 27 28  1  0
 10  2  1  0
  9  4  1  0
 18 13  1  0
 26 21  1  0
M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
  4 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 15  1  1  0
 11  6  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  7  2  1  0
 16  4  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 35 42  0  0  0  0  0  0  0  0999 V2000
    3.4199   -7.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382   -5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414   -5.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489   -4.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1580   -3.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6595   -3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490   -4.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5518   -3.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6191   -5.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550   -5.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8846   -8.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2541   -9.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399  -10.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033   -8.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4728   -7.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623   -6.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0673   -5.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8913   -4.2148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9561   -3.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552   -1.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3474   -4.5907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384   -5.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7324   -7.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248   -8.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 17 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
  4 32  1  6
 32 33  1  0
  3 34  1  6
 34 35  1  0
  7  2  1  0
 25  2  1  0
 27  8  1  0
 14  9  1  0
 27 15  1  0
 30 16  1  0
 26 18  1  0
 24 19  1  0
M  END
$$$$

     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -7.0355    5.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5355    5.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7855    4.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    4.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    5.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    3.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    4.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    4.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    4.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    2.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    1.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    2.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088   -1.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7184   -3.1476    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812   -4.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1476    1.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1476    0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1476    4.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4466    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 19 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 13 28  1  0
 28 29  1  0
 12 30  1  0
 30 31  1  0
 23  7  1  0
 15 10  1  0
 23 16  1  0
M  END
$$$$

     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672    0.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4418    3.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565    4.8847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2447    6.3519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594    7.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7860    6.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0475    8.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1622    9.8265    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8504   11.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8541   12.4084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1041   13.7075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369   13.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801   11.9038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221   14.3993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   13.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192   14.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458   14.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5605   15.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486   16.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220   17.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073   16.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3633   17.9506    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 27 30  1  0
  6  1  1  0
  9  4  1  0
 21 17  1  0
 29 24  1  0
M  END
$$$$

     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.6922   -2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316   -1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090    0.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9356    0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6741    2.6041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    3.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686    0.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1283   -1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143   -3.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470    1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351    3.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    3.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9499    4.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3764    3.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6883    2.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1149    1.8303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8855   -0.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    5.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503   -0.3303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4769    0.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7888    1.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5916   -0.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5953    0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879   -1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7063   -1.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3945   -3.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 15 12  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  6
 19 25  1  0
 16 26  1  6
 12 27  1  6
  4 28  1  6
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 34 35  1  0
 13  2  1  0
  9  3  1  0
  8 18  1  1
 15  9  1  0
 23 16  1  0
M  END
$$$$

     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.8971    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 18 22  1  0
  4 23  1  0
 14  1  1  0
 11  2  1  0
 10  5  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  6 13  1  0
  5 14  1  0
  4 15  1  0
 15 16  2  0
 16  1  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    2.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672    0.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    2.5537    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    6.3037    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2221    6.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221    6.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    7.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5086    8.6853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9721   10.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   11.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9721   12.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4721   12.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2221   11.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4721   10.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9356    8.6853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
  6  1  1  0
  9  4  1  0
 24 16  1  0
 23 18  1  0
M  END
$$$$

     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8265   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1256   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1256   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8265   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4246   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4246    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7236    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7236    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0227    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3217    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3217    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0227    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  5  1  1  0
  9  3  1  0
 14  7  1  0
 20 15  1  0
 28 23  1  0
M  END
$$$$

     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  4 15  1  0
 15 16  1  0
 16 17  1  0
  7  2  1  0
 14  9  1  0
 17 15  1  0
M  END
$$$$

     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
    4.6741    2.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9859    4.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    4.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    5.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6418    7.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684    7.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1831    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097    7.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802    9.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8068    9.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967    5.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    6.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    5.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5197    6.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    8.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    7.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021    8.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9499    4.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351    3.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470    1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    3.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3764    3.7611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 12  5  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 14 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 19 29  1  0
  8  3  1  0
 25 12  1  0
 13 17  1  6
 25 20  1  0
 28 22  1  0
M  END
$$$$

     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -2.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231   -2.5537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0819    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5085    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9720   -1.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2220   -2.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9720   -3.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4720   -3.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2220   -2.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4720   -1.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9356    0.2283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7220    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7220    2.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  5 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
  7  2  1  0
 12  4  1  0
 23 15  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.7942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 13 16  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  8  3  1  0
 15 10  1  0
 22 17  1  0
M  END
$$$$
