
     RDKit          3D

 87 90  0  0  0  0  0  0  0  0999 V2000
   -9.9047   -3.0210    2.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3066   -2.5149    1.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4718   -1.3881    1.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3577   -0.4948    2.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4657    0.5798    2.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7223    0.8138    0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6827    1.9103    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3426    1.4601    1.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5118    0.6189    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0673   -0.2907   -0.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.8233    0.5071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598    0.8352    1.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    1.7663    1.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716    1.0051    1.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    1.7607    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851    1.0801   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6539    1.8781    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9582    1.0672    0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8518   -0.1240    1.3661 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8131   -1.1791    0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2391   -0.6913    1.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548   -0.3389   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2712    0.1148    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8513    0.2306    1.2625 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1772   -0.0858    2.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8585   -0.5567    2.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693   -0.6726    1.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629   -0.4473    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    1.2013   -1.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3865    2.0127   -2.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718    0.4400   -2.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6899   -0.4220   -2.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747   -0.2494   -3.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.1009   -3.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7877   -1.0076   -2.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720   -0.7022   -3.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1874   -0.7815   -1.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5099    0.6861   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9082   -0.0178   -0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7128   -1.1668   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7196   -2.1456   -1.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7629   -2.2025   -2.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1149   -3.3181    3.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5065   -3.9170    2.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5760   -2.2589    2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9447   -0.6327    3.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3724    1.2351    2.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0660    2.7898    1.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5078    2.2571   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5314    0.8967    2.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7761    2.3753    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648   -0.2030    1.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745    1.1940    2.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1264    2.2324    2.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2321    2.6129    0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653    0.8644    2.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9953    0.0057    0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    1.9760   -0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3470    2.7728    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8291    2.8589   -0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4052    2.1078    1.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745    1.7162    0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    0.7720   -0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118   -2.0447    1.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -1.5459   -0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054   -0.4270   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8307    0.3816   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6613    0.0251    3.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3264   -0.8077    3.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9498   -0.1731    2.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648   -1.7556    1.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.0021    0.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241   -0.9645   -0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -1.4697   -2.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551   -0.1749   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484   -0.7181   -4.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364    1.6801   -2.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5595   -2.0943   -2.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5377   -1.4346   -3.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150   -1.1827   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0806   -1.3987   -0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029    1.2927   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2256    1.0878   -1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3571    0.1861   -1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9149   -1.3561   -2.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7326   -2.1656   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8740   -3.1602   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 19 27  1  0
 27 28  1  0
 16 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  6 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  1  0
 40  3  1  0
 38 11  1  0
 28 16  1  0
 26 21  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  4 46  1  0
  5 47  1  0
  7 48  1  0
  7 49  1  0
  8 50  1  0
  8 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  0
 13 55  1  0
 14 56  1  0
 14 57  1  0
 15 58  1  0
 15 59  1  0
 17 60  1  0
 17 61  1  0
 18 62  1  0
 18 63  1  0
 20 64  1  0
 20 65  1  0
 22 66  1  0
 23 67  1  0
 25 68  1  0
 26 69  1  0
 27 70  1  0
 27 71  1  0
 28 72  1  0
 28 73  1  0
 32 74  1  0
 32 75  1  0
 33 76  1  0
 34 77  1  0
 35 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
 42 85  1  0
 42 86  1  0
 42 87  1  0
M  END
$$$$
