
     RDKit          3D

 78 82  0  0  0  0  0  0  0  0999 V2000
   -4.2153   -0.0486   -3.5575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1013   -0.4556   -2.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2508   -0.3234   -1.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2345   -1.3233   -1.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2851   -1.2338   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3626   -0.1394    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3717   -0.0579    1.2788 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4722    0.9905    2.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5331    2.0253    2.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4803    1.9659    1.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3832    0.8768    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3293    0.7790   -0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8391   -0.9696   -1.8975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881   -0.4324   -2.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870    0.8408   -1.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396    1.4623   -2.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117    0.6124   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    0.8157   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -0.2923   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020    0.1649    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    1.3377   -0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3489    0.9461   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4450    0.6397    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9965    1.6666    0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9989    1.3668    1.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4335    0.0884    2.0406 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9227   -0.9266    1.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9162   -0.6723    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604    2.1888   -0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    2.2308   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1346    0.6221    0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8352    1.5760    1.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5189   -0.6260    0.7897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2741   -0.9557    1.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933   -2.3629    1.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -3.1447    2.8652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -2.3532    1.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9061   -3.6738    1.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0331   -1.4838    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864   -2.0382   -0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1741   -2.1844   -2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0279   -2.0221   -0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2886    1.0261    2.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6187    2.8653    2.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7499    2.7673    1.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5581    1.5416   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7949   -1.1995   -2.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078   -0.2065   -3.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9910    1.5943   -1.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    0.6385   -0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657    1.6416   -3.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.4605   -1.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    0.8577   -2.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1896   -0.4620   -2.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -1.2388    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433   -0.5521   -1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    0.4423    1.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841   -0.6972    0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0814   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7108    1.7801   -1.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6512    2.6876    0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4274    2.1499    2.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884   -1.9354    1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5081   -1.4900   -0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645    3.2236   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2698    1.8308   -2.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.9893   -1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541    2.6089    0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497   -0.1788    2.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -0.9324    2.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -2.8249    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5029   -4.0928    2.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8195   -1.9334    2.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8592   -3.6802    1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1296   -1.4298    0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6704   -0.4436    0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -2.8160   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8044   -2.5502   -0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  2 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  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 21 29  1  0
 29 30  1  0
 18 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 12  3  1  0
 40 13  1  0
 11  6  1  0
 30 18  1  0
 28 23  1  0
  4 41  1  0
  5 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 12 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 20 58  1  0
 22 59  1  0
 22 60  1  0
 24 61  1  0
 25 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 29 66  1  0
 30 67  1  0
 30 68  1  0
 34 69  1  0
 34 70  1  0
 35 71  1  0
 36 72  1  0
 37 73  1  0
 38 74  1  0
 39 75  1  0
 39 76  1  0
 40 77  1  0
 40 78  1  0
M  END
$$$$
