
     RDKit          3D

 81 84  0  0  0  0  0  0  0  0999 V2000
    9.1742    1.3644   -2.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2304    1.1321   -1.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8471    1.1295   -2.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9666    0.9364   -0.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4566    0.7528    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998    0.5435    1.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1894    0.3383    1.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8735   -1.0653    0.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949   -1.1421    0.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627   -1.1181    1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295   -0.9894    2.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311   -1.2021    0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5771    0.1951    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9075    1.0316    1.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    1.5544    2.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551    1.1645    1.9764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821    1.5335    1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8565    2.9503    1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8380    3.5182    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2070    3.5846    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1134    4.0995   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6589    4.5490   -1.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2995    4.4872   -1.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3901    3.9771   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4839    0.5135    1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    0.2516    2.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0078   -0.1987    0.1382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6673    0.5339   -0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0014   -1.6631    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9538   -2.1752   -0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7479   -3.5745   -0.6754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868   -4.1524   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -5.0048   -1.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0009   -5.5648   -2.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448   -5.2856   -1.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737   -4.4497   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384   -3.8760    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854   -3.0738    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -3.4386    2.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9245   -1.8979    1.5913 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8470    0.7801    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3912    0.6002    1.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7242    0.9745   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4154    2.4472   -3.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7211    1.0363   -3.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1133    0.7872   -2.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4482    1.2773   -3.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    0.9312   -1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694    0.4425    2.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7190    1.1242    0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426   -1.8210    1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558   -1.3134   -0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3325   -1.2596   -0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307   -1.7653   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673    0.7394   -0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4749    0.0622   -0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3904    1.2390    3.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522    1.5523    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2923    2.9465    2.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9738    3.6248    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5733    3.2355    1.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1674    4.1531    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3602    4.9497   -2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9505    4.8339   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3386    3.9351   -1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0429   -0.1599   -1.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9508    1.2340   -1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5320    1.1071   -0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7691   -2.0482    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0047   -2.0515   -0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2823   -1.9859   -1.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -1.6244   -0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688   -5.2233   -2.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320   -6.2184   -2.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0202   -5.7288   -1.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378   -4.2627    0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0770   -1.4764    2.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0351    1.4303    2.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0369   -0.3653    2.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5025    0.5945    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7930    0.9969   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 17 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
  5 41  1  0
 41 42  1  0
 41 43  2  0
 43  2  1  0
 40 12  1  0
 24 19  1  0
 37 32  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  4 48  1  0
  7 49  1  0
  7 50  1  0
  8 51  1  0
  8 52  1  0
  9 53  1  0
 12 54  1  0
 13 55  1  0
 13 56  1  0
 16 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 20 61  1  0
 21 62  1  0
 22 63  1  0
 23 64  1  0
 24 65  1  0
 28 66  1  0
 28 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 33 73  1  0
 34 74  1  0
 35 75  1  0
 36 76  1  0
 40 77  1  0
 42 78  1  0
 42 79  1  0
 42 80  1  0
 43 81  1  0
M  END
$$$$
