
     RDKit          3D

 75 77  0  0  0  0  0  0  0  0999 V2000
   11.6796   -1.1166    1.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170   -1.2691    0.0393 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4781   -0.6095    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    0.2835    1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238    0.9084    0.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9574    0.6503   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7078    1.2904   -0.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6224    0.9932   -1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0148   -0.3810   -0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6286   -0.4440   -1.1467 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.1374   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7699    0.6017    0.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466    0.1222   -0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5944   -1.1468   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5299   -1.6859   -1.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -2.2203   -2.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9584   -1.5656   -1.4353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7272   -1.4306   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6089   -2.7213    0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4057   -2.6216    1.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890   -4.0045   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1599   -1.0565   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8552   -1.8148   -1.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7028    0.2121   -0.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7765    0.5337    1.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3478    1.0757   -1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3366    1.5544   -2.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5757    2.7009   -1.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0781    2.8978   -0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8352    3.6878    0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4269    3.8811    1.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2569    3.2824    2.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728    2.5216    1.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400    2.3531   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145    1.6299   -0.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2879    1.2942   -2.1131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5701    1.3414   -0.5511 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3676   -0.2313   -1.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6204   -0.8526   -1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5556   -1.7616    0.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0236   -0.0627    1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2408   -1.4261    2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7049    0.4992    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5220    1.5890    1.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8518    1.7802   -0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    1.0411   -2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6006   -1.1770   -1.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -0.5826    0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168   -0.9733   -2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2315    0.1163   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351   -1.9585   -0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1114   -0.9402    0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4805   -1.7112   -2.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2983   -0.5892    0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -2.8282    0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4956   -2.6220    1.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1751   -3.4904    2.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1339   -1.6979    2.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7965   -4.8896    0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3747   -4.1255   -0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0621   -4.0104   -0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7611    0.6483    1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3069   -0.2784    1.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3385    1.4757    1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8369    1.9539   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1497    0.5014   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8983    1.8422   -3.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6608    0.7268   -2.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7573    4.1391    0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0293    4.4764    2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9564    3.4075    3.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    2.0618    1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878    2.0546    0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -0.4393   -1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -1.5309   -1.8641 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  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
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
  6 38  1  0
 38 39  2  0
 39  3  1  0
 37 13  1  0
 34 29  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  5 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 20 57  1  0
 20 58  1  0
 21 59  1  0
 21 60  1  0
 21 61  1  0
 25 62  1  0
 25 63  1  0
 25 64  1  0
 26 65  1  0
 26 66  1  0
 27 67  1  0
 27 68  1  0
 30 69  1  0
 31 70  1  0
 32 71  1  0
 33 72  1  0
 37 73  1  0
 38 74  1  0
 39 75  1  0
M  END
$$$$
