
     RDKit          3D

 74 78  0  0  0  0  0  0  0  0999 V2000
   -4.8951    5.0684   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5511    3.6526   -0.4415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3678    3.1833    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923    3.9933    0.9170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905    1.7026    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5295    1.4852    0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4271    2.2365   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274    1.5141    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    0.2664   -0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7032   -0.8399   -0.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104   -0.7471    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448   -1.3153    1.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824    0.0490   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    1.3636   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    1.2623    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8218    2.2032    0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2008    1.9443    0.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7027    0.7570    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8265   -0.1740   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4560    0.1026   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3848   -0.7441   -1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -1.9843    0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2465   -2.7539   -0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788   -2.7087   -0.7714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521   -3.4798    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -4.3934    1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1748   -5.1672    1.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5641   -5.0423    1.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1539   -4.1342    0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3554   -3.3465    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9964   -2.3554   -0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299   -2.7473   -1.8608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0248   -0.9601   -0.4278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9230   -0.5655    0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9656    0.9630    1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2012    0.0748   -1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1163    1.1436   -1.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0988    5.6318   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8551    5.2068   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0060    5.4615    0.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1970    2.9705   -0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569    1.7885    1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122    0.3986    0.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6950    2.3700   -1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3092    3.2539    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156    1.2420    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    2.2187   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0293   -0.0630   -1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4659    0.5148   -1.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    0.2945   -1.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2318    2.2436   -0.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406    1.4717    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4296    3.1161    1.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8796    2.6599    1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7672    0.5626    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2065   -1.0883   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5427   -0.8543   -2.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015   -1.7496   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511   -2.6975    0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1491   -1.6127    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -3.8080   -0.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316   -2.3124   -1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -4.5167    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -5.8686    2.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1841   -5.6442    2.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2324   -4.0318    0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7671   -1.0140    1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9802   -0.9592    1.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7378    1.2209    2.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0123    1.2933    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2096    0.5294   -1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1226   -0.3534   -2.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2907    1.9563   -2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.6614   -1.6068 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 10 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 35  5  1  0
 37  5  1  0
 21 13  1  0
 30 25  1  0
 20 15  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 21 57  1  0
 21 58  1  0
 22 59  1  0
 22 60  1  0
 23 61  1  0
 23 62  1  0
 26 63  1  0
 27 64  1  0
 28 65  1  0
 29 66  1  0
 34 67  1  0
 34 68  1  0
 35 69  1  0
 35 70  1  0
 36 71  1  0
 36 72  1  0
 37 73  1  0
 37 74  1  0
M  END
$$$$
