
     RDKit          3D

 81 83  0  0  0  0  0  0  0  0999 V2000
    6.7543   -2.0970   -2.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191   -1.8897   -2.4690 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5857   -3.1649   -2.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570   -1.0850   -1.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3962   -1.8033    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2385   -0.8726    1.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437   -0.4581    1.4394 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.8603    1.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682    1.6985    0.5916 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765    1.2740    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546    1.8431    2.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    2.5805    3.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    1.7495    3.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041    0.5925    3.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8082    2.2810    2.5196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    3.6817    2.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672    1.5124    2.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7199    1.4889    1.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7378    2.2078    0.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1567    0.7666    0.0691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268    1.5215   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.6964    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0936   -1.4750    0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4067   -1.1884    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4258   -0.4942    0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6304   -0.2054    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8299   -0.6126   -1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8252   -1.3101   -1.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6198   -1.6016   -1.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5891   -1.0361    0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5644   -0.1944    0.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -0.4248   -0.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173   -1.6404   -1.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864   -1.8364   -2.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299   -0.8262   -3.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925    0.3900   -2.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0382    0.5986   -1.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0223    1.9578   -0.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480    2.9109   -1.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770    2.2571    0.4912 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3027   -1.1326   -2.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1993   -2.8119   -1.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8984   -2.5003   -3.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0510   -3.9119   -1.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -3.0098   -2.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -3.5751   -3.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6232   -0.1294   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9831   -0.8055   -1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466   -2.1612    0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7318   -2.6815    0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9117    0.0069    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5550   -1.4155    2.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1576   -1.1671    1.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.3775    1.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7934    2.5660    3.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298    1.0134    3.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6091    3.5236    2.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313    2.8752    4.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150    3.8145    1.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5188    4.3563    2.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8914    3.9908    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    0.4818    2.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7569    1.9912    3.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980    1.8429   -1.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816    0.9170   -1.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3077    2.4171   -0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -1.0607   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8879   -2.5638    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1593   -1.2429    1.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2862   -0.1696    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4111    0.3325    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7649   -0.3908   -1.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9818   -1.6287   -2.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8525   -2.1435   -1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362   -2.1098    0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -0.8763    1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -2.4420   -1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281   -2.7743   -3.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3229   -0.9784   -4.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306    1.1754   -2.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119    3.2711    0.7061 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  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 10  1  0
 29 24  1  0
 37 32  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  3 44  1  0
  3 45  1  0
  3 46  1  0
  4 47  1  0
  4 48  1  0
  5 49  1  0
  5 50  1  0
  6 51  1  0
  6 52  1  0
  7 53  1  0
 10 54  1  0
 11 55  1  0
 11 56  1  0
 12 57  1  0
 12 58  1  0
 16 59  1  0
 16 60  1  0
 16 61  1  0
 17 62  1  0
 17 63  1  0
 21 64  1  0
 21 65  1  0
 21 66  1  0
 22 67  1  0
 23 68  1  0
 23 69  1  0
 25 70  1  0
 26 71  1  0
 27 72  1  0
 28 73  1  0
 29 74  1  0
 30 75  1  0
 30 76  1  0
 33 77  1  0
 34 78  1  0
 35 79  1  0
 36 80  1  0
 40 81  1  0
M  END
$$$$
