
     RDKit          3D

107112  0  0  0  0  0  0  0  0999 V2000
   -7.4798   -2.3748    0.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2755   -1.3673    0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8012    0.0509    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5943    0.5292    1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3187   -0.3235    1.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6776   -0.3201   -0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -1.4656   -0.5390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -1.9089    0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366   -1.1056    1.2815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829   -3.3567    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5382   -4.2498    0.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6193   -5.3984   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081   -4.9106   -1.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0435   -3.8282   -0.8681 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772   -3.4283   -1.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8420   -3.6563   -2.8518 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3434   -2.8786   -0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846   -2.2051   -1.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3498   -0.6622   -1.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -0.0897   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1441    0.0195    0.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2768    0.3766   -0.4922 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3704   -0.3245   -1.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9234   -1.4364   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9677   -0.9437    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8471    0.4962    1.0765 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9213    0.9168    2.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2675    0.8767    1.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2183   -0.0862    1.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4348   -0.1370    1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6906    0.7629   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    1.7192   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5474    1.7516    0.3261 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5033    0.8242    1.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    1.4077    0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057   -0.1423   -2.1507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324    1.2150   -2.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    1.4667   -3.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6015    2.3245   -2.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762    2.5295   -2.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6734    3.5893   -2.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975    4.4504   -1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251    4.2606   -0.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    3.1953   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335    3.0276   -0.5073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784    2.0178    0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698    2.1994    1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370    3.5972    1.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    4.2859    0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4003    3.3810   -0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8228    2.0892    0.0966 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970    0.9628   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6412    1.0707   -1.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8134   -2.4145   -0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7004   -3.2997    0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2161   -1.5184    1.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3520   -1.4814    0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6025    0.1402   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6364    0.7548    0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3820    1.5765    0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8908    0.5456    2.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    0.0238    1.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5591   -1.3644    1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5048   -0.4672   -1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8986   -2.0321   -1.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -3.4940    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3416   -4.6321    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5096   -3.7050    0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -5.6823   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0784   -6.2829    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6435   -4.5295   -2.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3175   -5.7290   -1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300   -2.1890   -0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -3.7356   -0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2953   -2.5737   -2.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -2.5187   -1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905   -0.3481   -2.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347   -0.7762   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1744    0.3941   -1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799   -1.9247    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3925   -2.2236   -0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9648   -1.1278    0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8958   -1.5701    1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7614    1.9741    2.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9055    0.2946    2.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0195   -0.7984    2.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1769   -0.8778    1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6337    0.7381   -0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001    2.4213   -1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997   -0.0630    2.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513    1.5897    2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1888    2.2316   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    1.8568    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8132   -0.7855   -2.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362    1.8845   -3.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    3.7413   -2.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8049    5.2781   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5593    4.9330    0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    1.0173    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6059    2.0750    1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8984    1.4279    1.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    3.5094    2.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969    4.1966    1.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9646    4.3877    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    5.2924    0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9460    3.7769   -1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4891    3.2895   -0.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  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  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 26 34  1  0
 34 35  1  0
 19 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 52  6  1  0
 14 10  1  0
 35 22  1  0
 44 39  1  0
 51 47  1  0
 33 28  1  0
  1 54  1  0
  1 55  1  0
  2 56  1  0
  2 57  1  0
  3 58  1  0
  3 59  1  0
  4 60  1  0
  4 61  1  0
  5 62  1  0
  5 63  1  0
  6 64  1  0
  7 65  1  0
 10 66  1  0
 11 67  1  0
 11 68  1  0
 12 69  1  0
 12 70  1  0
 13 71  1  0
 13 72  1  0
 17 73  1  0
 17 74  1  0
 18 75  1  0
 18 76  1  0
 19 77  1  0
 23 78  1  0
 23 79  1  0
 24 80  1  0
 24 81  1  0
 25 82  1  0
 25 83  1  0
 27 84  1  0
 27 85  1  0
 29 86  1  0
 30 87  1  0
 31 88  1  0
 32 89  1  0
 34 90  1  0
 34 91  1  0
 35 92  1  0
 35 93  1  0
 36 94  1  0
 40 95  1  0
 41 96  1  0
 42 97  1  0
 43 98  1  0
 46 99  1  0
 46100  1  0
 47101  1  0
 48102  1  0
 48103  1  0
 49104  1  0
 49105  1  0
 50106  1  0
 50107  1  0
M  END
$$$$
