
     RDKit          3D

 90 94  0  0  0  0  0  0  0  0999 V2000
    7.7208   -1.6368   -2.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248   -1.0808   -2.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2801   -0.2064   -1.8562 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2832    0.9131   -2.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8359    0.5123   -1.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    0.2928   -0.3791 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5322   -0.7759   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1032   -1.2032    1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -2.1870    1.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003   -3.0627    2.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316   -3.9969    2.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0836   -4.0417    1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350   -4.9585    1.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1881   -4.9426    0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -3.9964   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304   -3.1523   -0.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0965   -3.1415    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -2.2226    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3215   -3.9274   -1.3732 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7223   -3.9963   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -2.7519   -2.2527 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2550   -1.3571   -1.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1883   -0.4942   -2.7915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4383   -0.8798   -0.4427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9104   -0.4509   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0393    1.0198    0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966    1.8929   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8123    1.4033   -0.7362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.1857   -0.0972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855    2.3387   -1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8972    2.9712   -2.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7026    2.7174   -0.1145 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2479    3.8274    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780    3.1732   -0.8005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7539    3.5112   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644    4.2741   -0.7261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    2.8745    1.1790 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9496    3.8463    2.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273    3.0977    3.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0527    4.9983    2.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010    1.6751    0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290    1.6074    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8342    2.6433    0.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9393   -0.1532    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8080   -1.0108   -0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7684   -2.3703   -3.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816   -0.8507   -3.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548   -2.1822   -2.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2390    0.3116   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359    1.8475   -1.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3743    1.1443   -3.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282   -0.4176   -2.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1361    1.2835   -2.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -1.1993   -1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677   -0.8248    1.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041   -3.0368    2.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -4.6738    3.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490   -5.6763    2.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -5.6543    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154   -1.5134   -0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2194   -4.8313   -2.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9524   -5.0350   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051   -3.3552    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4891   -3.6834   -1.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0450   -2.9530   -3.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230   -1.7107    0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5466   -0.6304   -1.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3430   -1.0676    0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1069    1.3335    0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6830    1.1516    1.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6170    1.8785   -1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2272    2.9390   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244   -0.1152   -0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    1.8213    0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1652    3.4772    1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    4.1085    1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    4.7327    0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    3.3726   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2643    2.5649    1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995    4.3090    1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    2.3736    2.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082    3.8192    4.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243    2.5500    3.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173    5.5524    1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6548    5.7205    3.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306    4.6129    3.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407    0.7279    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490   -0.7197    1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155   -1.8930   -0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6902   -1.3877   -0.0553 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  1  0
  6  5  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 37 41  1  0
 41 42  1  0
 42 43  2  0
  6 44  1  0
 44 45  1  0
 45  3  1  0
 42  6  1  0
 18  9  2  0
 29 24  1  0
 17 12  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  3 49  1  1
  4 50  1  0
  4 51  1  0
  5 52  1  0
  5 53  1  0
  7 54  1  0
  8 55  1  0
 10 56  1  0
 11 57  1  0
 13 58  1  0
 14 59  1  0
 18 60  1  0
 19 61  1  6
 20 62  1  0
 20 63  1  0
 20 64  1  0
 21 65  1  0
 24 66  1  1
 25 67  1  0
 25 68  1  0
 26 69  1  0
 26 70  1  0
 27 71  1  0
 27 72  1  0
 29 73  1  0
 32 74  1  1
 33 75  1  0
 33 76  1  0
 33 77  1  0
 34 78  1  0
 37 79  1  1
 38 80  1  0
 39 81  1  0
 39 82  1  0
 39 83  1  0
 40 84  1  0
 40 85  1  0
 40 86  1  0
 44 87  1  0
 44 88  1  0
 45 89  1  0
 45 90  1  0
M  END
$$$$
