
     RDKit          3D

 93 94  0  0  0  0  0  0  0  0999 V2000
   -0.1672    5.9530    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062    5.3051   -0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733    6.3860   -1.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057    4.2122   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2251    2.9814    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3908    2.4235   -0.7887 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9014    1.8090   -0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3974    1.2138   -1.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6802    1.8223    0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101    0.5011    1.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057   -0.6283    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669   -0.3617    1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2732   -0.2385    2.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -0.3040    0.0460 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1692    0.1859    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0462   -0.2230   -0.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3751    0.1552   -0.7449 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    1.7147    0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5940    2.3677   -0.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0439   -1.9208    1.4682 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0114   -3.1333    0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -4.2408    1.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -3.0991   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8178   -3.3725   -1.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6813   -3.1520   -2.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800   -2.6557   -3.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105   -2.3875   -2.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5189   -2.6260   -1.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6151   -2.3800   -0.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9737   -3.1151    0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658   -2.9173    0.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9667   -3.7635    2.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2205   -3.4428    3.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9113   -5.2740    1.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7311   -1.4920    1.2004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080   -0.9079    0.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0620   -1.4985    1.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1152    0.4020    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8769    0.2520   -1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971   -0.9496   -2.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4014    0.1932   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7872    0.9799   -0.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1978    1.9472    0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5315    1.9702    2.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    6.7466   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450    6.4001    1.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    5.2045    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851    4.8505   -1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076    5.9369   -2.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304    6.8826   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309    7.1559   -2.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451    3.8703   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816    4.6534    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076    3.3159    1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154    2.3762   -1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3831    2.6752    1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7570    1.9906    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7543    0.6702    2.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397    0.1877    1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.6553   -0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821   -0.6127   -0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032   -0.2914    1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942   -1.3304   -1.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6713    0.2431   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8909   -0.2002   -1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5648    1.9606    1.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991    2.0797    0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3377    2.6030   -1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219   -2.0035    2.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748   -3.7077   -1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115   -3.3480   -3.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -2.4756   -4.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190   -2.0117   -3.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7538   -4.1868    0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3851   -2.7481    1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0242   -3.2404    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0395   -3.5179    2.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7088   -3.9751    4.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566   -2.3490    3.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626   -3.7747    3.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4545   -5.8356    2.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -5.6479    1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4096   -5.4888    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743   -0.8737    1.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891    1.1078    0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6729    1.1648   -1.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6668   -1.9090   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2951   -0.9238   -2.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8688   -0.9274   -3.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7084   -0.7214   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9086    0.1875   -1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7631    1.0873   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713    0.7144   -0.9478 H   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  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 11 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  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
 32 34  1  0
 31 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 38 42  1  0
 42 43  1  0
 43 44  2  0
 43  5  1  0
 28 23  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  3 49  1  0
  3 50  1  0
  3 51  1  0
  4 52  1  0
  4 53  1  0
  5 54  1  0
  6 55  1  0
  9 56  1  0
  9 57  1  0
 10 58  1  0
 10 59  1  0
 11 60  1  0
 14 61  1  0
 15 62  1  0
 16 63  1  0
 16 64  1  0
 17 65  1  0
 18 66  1  0
 18 67  1  0
 19 68  1  0
 20 69  1  0
 24 70  1  0
 25 71  1  0
 26 72  1  0
 27 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 32 77  1  0
 33 78  1  0
 33 79  1  0
 33 80  1  0
 34 81  1  0
 34 82  1  0
 34 83  1  0
 35 84  1  0
 38 85  1  0
 39 86  1  0
 40 87  1  0
 40 88  1  0
 40 89  1  0
 41 90  1  0
 41 91  1  0
 41 92  1  0
 42 93  1  0
M  END
$$$$
