
     RDKit          3D

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.3385    3.0485    1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2252    2.0009    0.0818 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1486    2.3687   -1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308    1.9144   -2.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344    2.2781   -1.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272    1.1816   -1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406    0.6195    0.1541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0222    1.5345    0.9530 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7714    3.2968    0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627    1.2024    2.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3512    1.2109    0.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9268   -0.8736    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8004   -1.4454    1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9325   -2.9704    1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5613   -3.6400    1.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -3.1056    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341   -1.5727    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907   -1.1257   -0.8763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6682   -1.3593   -0.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362   -2.4236   -1.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5080   -2.6233   -1.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4215   -1.7516   -1.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9654   -0.6836   -0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.4830   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451    0.6279    0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7509    0.3648    1.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    4.0602    0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465    3.0293    1.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489    2.8755    1.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0045    1.9134   -1.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379    3.4685   -1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570    2.3892   -3.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968    0.8335   -2.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8541    3.2182   -1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1784    2.5118   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    1.6126   -1.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    0.3986   -1.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    3.8157    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8443    3.6279   -0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337   -1.1711   -0.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3533   -1.1823    2.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8329   -1.0466    1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4585   -3.2506    0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426   -3.3348    2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6842   -4.7380    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813   -3.4526    2.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0896   -3.3988   -0.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -3.5743    0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0545   -1.3057    1.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -3.0873   -2.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8628   -3.4472   -2.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840   -1.9038   -1.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844   -0.0175   -0.0690 H   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
  8 10  2  0
  8 11  2  0
  7 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  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  2  0
 25  2  1  0
 17 12  1  0
 24 19  1  0
  1 27  1  0
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  1 29  1  0
  3 30  1  0
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  4 32  1  0
  4 33  1  0
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  5 35  1  0
  6 36  1  0
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 17 50  1  0
 20 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
M  END
$$$$
