
     RDKit          3D

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.1135   -0.0091   -1.5087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510   -0.3930   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0213   -0.6720    1.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3272   -1.2868    0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332   -2.5165    1.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -3.0540    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462   -2.3702    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4442   -1.1602   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -0.6252   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    0.5301   -0.7402 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3239    1.8194   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3106    2.6674    0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574    2.9635   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3318    3.3811    0.7154 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    3.3403    1.7932 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126    2.9050    1.4808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224    3.5350    0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8093    2.1576    0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973    1.5771   -0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.0200   -0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7435   -0.4353   -1.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560   -1.9752   -2.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537   -2.6746   -0.8199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4900   -2.0338    0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9641   -0.6215    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600   -2.0732    0.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368   -0.9088    2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674    0.4313    1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851   -3.0494    2.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914   -4.0003    1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8188   -2.7863   -0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043   -0.6511   -1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    2.2669   -1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2627    1.7613    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6769    2.7642   -1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3903    4.1371    1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762    4.1004   -0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377    2.2639    1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490    1.4628    1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2289    1.9193   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5559    2.0095   -1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2017    0.0194   -2.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980   -0.0732   -2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6807   -2.2885   -2.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8902   -2.2806   -2.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9911   -3.6583   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5454   -1.9713   -0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4896   -2.6555    1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3795   -0.6527    1.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516    0.0150    0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0
 12 13  1  0
 13 14  2  0
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 15 16  1  0
 16 17  2  0
 15 18  1  0
 18 19  1  0
 19 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
 21  2  1  0
 10  5  1  0
 17 13  1  0
 26 21  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  6 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
 12 34  1  0
 12 35  1  0
 14 36  1  0
 18 37  1  0
 18 38  1  0
 19 39  1  0
 19 40  1  0
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 20 42  1  0
 22 43  1  0
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 23 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 25 49  1  0
 26 50  1  0
 26 51  1  0
M  END
$$$$
