
     RDKit          3D

 65 68  0  0  0  0  0  0  0  0999 V2000
    5.1271    1.4612    0.7694 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5063    0.9267   -0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659   -0.1874   -0.8379 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -0.9269   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632   -0.2265    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    0.7012   -0.8234 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4258   -0.6559    0.9092 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380   -1.5065    2.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656   -1.8000    2.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5405   -2.2927    2.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -1.3571    0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330   -0.7780    1.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3607   -1.8527    1.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7668   -1.2633    2.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6002   -1.1647    0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7142    0.2571    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5609    1.1604    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6543    2.4890    0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9081    2.9355   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0493    2.0545   -1.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9495    0.7105   -0.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0909   -0.1837   -1.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8871    0.2118   -2.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9638   -0.9958   -2.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959   -1.9244   -1.2477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0393   -2.1341   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.9451   -0.5936 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0441   -0.1768    0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7076    1.4594   -1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3649    0.7183   -2.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5105    1.2221   -2.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0302    2.4570   -2.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3963    3.1984   -1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396    2.7081   -0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   -0.4442   -1.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6537   -1.9355   -0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2004   -1.0596    0.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1671   -2.4709    1.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -0.9963    2.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142   -0.8915    3.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6885   -2.5752    3.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334   -0.1428    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925   -0.1092    2.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254   -2.3023    2.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030   -2.6876    1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6876   -0.2662    2.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3098   -1.9296    2.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2029   -1.8398   -0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6312   -1.5373    0.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1420    0.8305    1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3153    3.1734    0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9848    3.9651   -0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4814    2.4211   -2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281    0.6525   -3.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3516    0.9725   -1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328   -1.5249   -3.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079   -0.6433   -2.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -2.5540   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271    0.2793   -0.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1199    0.6363    1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0206   -0.2607   -2.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0053    0.6443   -3.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9256    2.8416   -2.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067    4.1529   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7715    3.3022    0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 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  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 11 28  1  0
  2 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 28  7  1  0
 34 29  1  0
 26 11  1  0
 21 16  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 17 50  1  0
 18 51  1  0
 19 52  1  0
 20 53  1  0
 23 54  1  0
 23 55  1  0
 24 56  1  0
 24 57  1  0
 25 58  1  0
 28 59  1  0
 28 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
M  END
$$$$
