
     RDKit          3D

 59 62  0  0  0  0  0  0  0  0999 V2000
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    4.4939   -0.4702    1.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8587   -2.5919    2.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6344   -2.5491    1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -1.4727    0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7685    1.5200   -2.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    0.4792   -1.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    0.6838   -1.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845    0.9205   -1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   -0.2768   -0.4106 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6764   -0.2006   -0.2186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1860    1.1739   -0.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0396    1.7421    1.5522 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.0518    0.7631    2.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6073    1.6817    2.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5060    3.1673    1.6179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2419   -0.9029   -1.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.9245   -1.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660   -1.5023   -1.1768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799   -2.3113   -1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663   -2.9264   -2.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0885   -1.4384    0.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7803    0.7639    0.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1481    1.5603    1.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767    0.3486    1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7294   -1.6350    2.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0938   -3.4232    2.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389   -3.3577    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    1.5940   -0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0481    2.9719    0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0981    2.5944   -2.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4879    1.1039   -3.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1114   -0.5055   -1.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    0.3848   -2.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7409    1.8432   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9565   -0.8182    0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2121    1.1696   -0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9803    0.4531    2.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3159    1.3621    3.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4916   -0.1344    2.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3767   -0.1774   -2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2151   -1.3908   -1.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0313   -1.9357   -2.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4770   -2.9373   -1.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -2.4159    0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5778   -3.4619   -0.0381 H   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  1  0
 11 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  1  0
 19 21  2  0
 19 22  2  0
 17 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
  7  2  1  0
 13  8  1  0
 25 16  1  0
 29  6  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 15 46  1  0
 15 47  1  0
 16 48  1  1
 17 49  1  1
 18 50  1  0
 20 51  1  0
 20 52  1  0
 20 53  1  0
 23 54  1  0
 23 55  1  0
 24 56  1  0
 24 57  1  0
 28 58  1  0
 28 59  1  0
M  END
$$$$
