
     RDKit          3D

 85 87  0  0  0  0  0  0  0  0999 V2000
   -0.1171   -3.4872   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922   -3.0066   -1.5084 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2805   -3.5728   -2.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -3.2712   -3.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -1.5317   -1.5521 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.6921   -1.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7782    0.4002   -2.4485 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0898   -0.2144   -3.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772    1.5311   -2.0655 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2614    1.1001   -2.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5151    0.1619   -0.8923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4085   -0.9276   -1.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0589    0.8520    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7260    0.0729    1.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4152    0.0807    2.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0854   -0.6932    3.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0613   -1.4775    3.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3710   -1.4812    3.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -0.7157    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872    2.0709   -0.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    3.4777   -0.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656    4.0026    0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554    3.4002    1.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7225    4.0054    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2773    3.2451   -0.8586 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7365    3.6070   -1.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    1.8208   -0.8322 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6497    0.8645    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3350    1.2061    1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    0.2153    2.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5787   -1.1446    1.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0294   -2.1728    2.7279 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1457   -1.9206    3.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3022   -3.4458    2.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -1.4863    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703   -0.4972   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -0.8988   -1.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   -0.6452   -2.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027   -3.2657   -0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180   -4.5833   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -2.9953    0.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5231   -3.4241   -1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032   -3.1448   -2.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904   -4.6785   -2.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1382   -3.9172   -3.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5477   -0.2185   -0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5436   -1.3202   -1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027    0.9113   -2.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    0.5802   -4.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -0.7823   -4.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.9026   -3.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    2.2840   -2.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966    2.0104   -1.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5405    0.6600   -2.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3882   -0.5298   -1.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9390   -1.5031   -2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5763   -1.6465   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1555    1.0033    0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158    1.8648    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510    0.6849    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6870    3.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8049   -2.0797    4.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1276   -2.0851    3.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7164   -0.7464    1.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2666    3.9266   -1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349    3.7977   -1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    5.1111    0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6705    3.7473    1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    2.2932    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059    3.6265    2.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063    4.0919    1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    5.0602    0.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7056    3.6070   -1.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296    4.6979   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4043    3.3390   -0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815    3.0674   -2.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184    2.2296    1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894    0.5221    3.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9559   -1.3720    3.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7930   -1.3220    4.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789   -2.8777    4.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2106   -3.2534    2.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5128   -4.0766    1.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   -4.0115    3.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7968   -2.5253    0.3487 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
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 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  1  0
 32 34  1  0
 31 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 37  5  1  0
 19 14  1  0
 36 28  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  6
  3 43  1  0
  3 44  1  0
  4 45  1  0
  6 46  1  0
  6 47  1  0
  7 48  1  6
  8 49  1  0
  8 50  1  0
  8 51  1  0
  9 52  1  6
 10 53  1  0
 10 54  1  0
 12 55  1  0
 12 56  1  0
 12 57  1  0
 13 58  1  0
 13 59  1  0
 15 60  1  0
 16 61  1  0
 17 62  1  0
 18 63  1  0
 19 64  1  0
 21 65  1  0
 21 66  1  0
 22 67  1  0
 22 68  1  0
 23 69  1  0
 23 70  1  0
 24 71  1  0
 24 72  1  0
 25 73  1  6
 26 74  1  0
 26 75  1  0
 26 76  1  0
 29 77  1  0
 30 78  1  0
 33 79  1  0
 33 80  1  0
 33 81  1  0
 34 82  1  0
 34 83  1  0
 34 84  1  0
 35 85  1  0
M  END
$$$$
