
     RDKit          3D

 89 92  0  0  0  0  0  0  0  0999 V2000
    9.8907    2.8313    0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6572    2.8068    1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603    1.4645    1.8887 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5595    0.6188    1.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1157    1.0468   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4051    0.1807   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1176   -1.1256   -0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2870   -2.0335   -1.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068   -2.0471   -1.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538   -0.6645   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -0.7522   -1.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795   -1.0560   -2.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905   -1.4984   -3.1518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -0.7848   -1.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370    0.7314   -1.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3769    1.0640   -1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525    1.6253   -2.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717    0.7687   -0.2881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1202    1.5026    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    2.9714    0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851    3.6842    1.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5985    4.6168    0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4967    5.2733    1.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4929    5.0034    3.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3860    5.6505    3.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5861    4.0758    3.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6850    3.4203    2.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3213    1.3603   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6964    2.3688   -1.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0017    0.0958   -0.8786 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9786    0.0155   -1.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9018   -1.0418    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3482   -2.2989   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9491   -2.1609   -0.8868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0071   -3.1552   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -3.8180    0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171   -4.8239    0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1466   -5.1762    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0899   -4.5140   -1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -3.4928   -1.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9205   -2.7935   -2.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199   -3.4139   -3.8503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906   -1.4282   -2.8801 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594   -1.5598    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873   -0.6948    1.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7503   -1.1032    2.6914 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5632   -2.4065    3.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7514    2.3685    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1472    3.8812    0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7098    2.2774   -0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9119    3.3009    2.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8217    3.3826    1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3063    2.0490   -0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636    0.5381   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3689   -1.7282   -2.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863   -3.0685   -1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663   -2.7595   -1.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124   -2.4158   -0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974    0.0166   -0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437   -0.2253   -2.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3513   -0.4398   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629   -1.1910   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264    1.2096   -1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165    1.1694   -2.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4553    0.1436    0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3694    1.0744    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7109    2.9816    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5792    3.5233   -0.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6135    4.8416   -0.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1969    5.9892    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0566    6.3267    3.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5775    3.8634    4.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.7049    3.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4565    0.1174   -2.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7298    0.8277   -1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5304   -0.9475   -1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9180   -1.2659    0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2764   -0.8194    0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8724   -2.5045   -1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5501   -3.1694    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7701   -3.5413    1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1513   -5.3286    1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4328   -5.9571    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195   -4.7822   -1.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397   -0.9655   -3.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3255   -2.5683    0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0467   -3.1643    2.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0332   -2.4508    4.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4786   -2.6272    3.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 19 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
  7 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  1  0
 45  4  1  0
 43 14  1  0
 27 21  1  0
 40 35  1  0
  1 48  1  0
  1 49  1  0
  1 50  1  0
  2 51  1  0
  2 52  1  0
  5 53  1  0
  6 54  1  0
  8 55  1  0
  8 56  1  0
  9 57  1  0
  9 58  1  0
 10 59  1  0
 10 60  1  0
 11 61  1  0
 14 62  1  0
 15 63  1  0
 15 64  1  0
 18 65  1  0
 19 66  1  0
 20 67  1  0
 20 68  1  0
 22 69  1  0
 23 70  1  0
 25 71  1  0
 26 72  1  0
 27 73  1  0
 31 74  1  0
 31 75  1  0
 31 76  1  0
 32 77  1  0
 32 78  1  0
 33 79  1  0
 33 80  1  0
 36 81  1  0
 37 82  1  0
 38 83  1  0
 39 84  1  0
 43 85  1  0
 44 86  1  0
 47 87  1  0
 47 88  1  0
 47 89  1  0
M  END
$$$$
