
     RDKit          3D

 76 80  0  0  0  0  0  0  0  0999 V2000
   -3.0785    1.5734    2.4424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963    0.5049    1.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466   -0.3842    2.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8173   -0.8341    1.1498 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689   -2.2981    0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -2.8444    0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0630   -3.3641    1.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2183   -3.8565    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338   -3.8422   -0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942   -3.3320   -1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346   -2.8447   -1.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921   -0.0408   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3478    1.4153    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027    2.4336   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536    3.7839   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112    4.1226    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464    3.1253    1.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8383    1.7732    0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708    0.7533    1.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8672    0.5883    2.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796   -0.0276    0.4840 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452    0.5691   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0231   -0.3558   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9906   -0.9100   -0.5507 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4029   -0.9198   -0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    0.2065   -1.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    0.1698   -1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1471   -0.9773   -1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859   -2.0724   -0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451   -2.0183   -0.5109 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -1.5339    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9949   -1.3898    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3979    2.0553   -0.9293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    2.9029   -1.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523    2.0923   -1.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    2.3262   -1.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    2.0479    0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2434    0.5538    0.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472    0.1087    0.7952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706   -1.2444    2.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1351    0.1693    2.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989   -2.8039    1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158   -2.5639    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9865   -3.3918    2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0216   -4.2572    1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2280   -4.2266   -1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841   -3.3252   -2.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329   -2.4627   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -0.4565   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6024   -0.1514   -0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805    4.5801   -0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5671    5.1640    0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494    3.4083    1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815    0.7901   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5672    1.5237   -0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599   -1.1908   -1.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5201    0.2006   -2.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4929    1.1132   -1.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9202    1.0316   -2.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2143   -1.0162   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0402   -2.9628   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0077   -1.0426    1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7774   -2.6126    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997   -1.6479    1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4921   -2.1107    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    3.2477   -2.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586    3.7974   -1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3136    1.0067   -2.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8966    2.3854   -2.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5845    1.7031   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0407    3.3869   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5272    2.6425    0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2608    2.4355    1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8479   -0.0703    0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6463    0.3765    1.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6196   -0.6852    0.1612 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  4 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
 19 21  1  0
 21 22  1  0
 22 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
 24 31  1  0
 31 32  1  0
 14 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39  2  1  0
 11  6  1  0
 18 13  1  0
 32 21  1  0
 30 25  1  0
  3 40  1  0
  3 41  1  0
  5 42  1  0
  5 43  1  0
  7 44  1  0
  8 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 12 49  1  0
 12 50  1  0
 15 51  1  0
 16 52  1  0
 17 53  1  0
 22 54  1  0
 22 55  1  0
 23 56  1  0
 23 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 31 62  1  0
 31 63  1  0
 32 64  1  0
 32 65  1  0
 34 66  1  0
 34 67  1  0
 35 68  1  0
 35 69  1  0
 36 70  1  0
 36 71  1  0
 37 72  1  0
 37 73  1  0
 38 74  1  0
 38 75  1  0
 39 76  1  0
M  END
$$$$
