
     RDKit          3D

 84 86  0  0  0  0  0  0  0  0999 V2000
   -6.3281    1.3267    1.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2681    0.3104    1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8701   -1.1025    1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6961    0.7122   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4934   -0.1492   -0.7895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6817    0.6272   -1.7359 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565    1.3215   -1.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    2.1881   -2.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309    1.0552   -0.1873 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8826    2.1205    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    3.5049    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3427    4.3844   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272    5.6621   -0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    6.0727   -0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    5.2094    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    3.9289    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949    0.9311   -0.5193 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6731    0.1211    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5129    0.0632    1.5301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7612   -0.7078   -0.3586 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8338    0.1561   -1.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5218    1.0929   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5615    0.6292    0.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1909    1.4999    1.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7837    2.8344    1.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4154    3.6889    2.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7444    3.2982    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1180    2.4330   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1645   -1.6220   -1.3391 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -3.0228   -1.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -3.5575   -2.5894 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -3.8878   -0.2214 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2594   -5.2852   -0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829   -3.9526    0.6005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -4.7484   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9688   -4.2774    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547   -2.7954    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5841   -2.5201   -1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245   -2.5876   -1.5013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9031   -1.4483   -1.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0155   -1.5234   -2.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1832    1.3367    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7047    1.0713    2.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8900    2.3476    1.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4445    0.3411    1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3726   -1.3091    2.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6157   -1.2131    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0735   -1.8634    0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4994    0.7236   -1.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3407    1.7636   -0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9244   -0.4072    0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.8231   -2.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9283    0.0883    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668    2.1356    1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654    1.8266    1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    4.0790   -0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    6.3329   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    7.0618   -0.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3015    5.5328    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5805    3.2688    1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320    1.2390   -1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2639   -1.2786    0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3880    0.7272   -1.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.5153   -1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -0.4029    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    1.1338    2.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1126    4.6495    2.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261    4.3322    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188    2.8094   -0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599   -1.1907   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031   -3.4121    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966   -5.8781    0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780   -5.8409   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -5.1851   -1.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7214   -4.3652    1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260   -5.8210    0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4095   -4.6881   -1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700   -4.9083    0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964   -4.4291    1.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768   -2.1849    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1021   -2.4666    0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1918   -1.5278   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0748   -3.2456   -1.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3993   -3.4751   -1.9066 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  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 20 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40  5  1  0
 16 11  1  0
 28 22  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  1
  6 52  1  0
  9 53  1  1
 10 54  1  0
 10 55  1  0
 12 56  1  0
 13 57  1  0
 14 58  1  0
 15 59  1  0
 16 60  1  0
 17 61  1  0
 20 62  1  1
 21 63  1  0
 21 64  1  0
 23 65  1  0
 24 66  1  0
 26 67  1  0
 27 68  1  0
 28 69  1  0
 29 70  1  0
 32 71  1  1
 33 72  1  0
 33 73  1  0
 33 74  1  0
 34 75  1  0
 35 76  1  0
 35 77  1  0
 36 78  1  0
 36 79  1  0
 37 80  1  0
 37 81  1  0
 38 82  1  0
 38 83  1  0
 39 84  1  0
M  END
$$$$
