
     RDKit          3D

 84 86  0  0  0  0  0  0  0  0999 V2000
    0.5905   -4.1790    0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473   -3.3502   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1393   -4.1136   -1.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923   -1.9596   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527   -0.9077   -1.2925 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4858   -1.1548   -2.4780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140   -0.9629   -2.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992   -1.2956   -3.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547   -0.3986   -1.4228 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7132   -1.4945   -0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3806   -1.1217    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7620   -0.8669    0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3865   -0.5791    1.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6365   -0.5360    2.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2611   -0.7786    2.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6346   -1.0743    1.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5295    0.7515   -1.9142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0186    1.8477   -1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0518    2.4568   -1.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2754    2.3999    0.0885 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2819    2.7279    1.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5490    3.6265   -0.3044 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318    3.9621    0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313    3.2213    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170    3.8885   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7592    3.0139   -1.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8850    2.9949   -0.5207 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017    1.9984    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7169    2.3434    1.5392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.5819    0.3771 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2084   -0.4018    1.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6651   -0.6982    1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0185   -1.6743    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3632   -1.9390   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3705   -1.2436    0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7067   -1.5167    0.2782 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0258   -0.2829    1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6815   -0.0149    1.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    0.0773   -0.9910 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274   -0.8155   -1.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -1.5463   -2.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850   -5.1663    0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693   -3.6592    1.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4839   -4.3409    1.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8376   -3.2324   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -3.6304   -2.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9679   -4.1592   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387   -5.1498   -1.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9952   -2.1026   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -1.5300    0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642    0.0848   -0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0257   -1.4592   -3.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.0899   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615   -2.4451   -0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4771   -1.7094   -1.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3577   -0.8997   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4518   -0.3883    1.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1220   -0.3134    3.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6802   -0.7433    3.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5711   -1.2719    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9981    0.6367   -2.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5762    1.6466    0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9623    1.8703    1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600    2.9305    2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8900    3.6178    0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1879    3.5334   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6949    3.7355    1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569    5.0596    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331    3.2191    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672    2.1674   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0174    4.8730   -0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    4.0752   -1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3806    2.0014   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.4400   -2.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386    3.8788   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4923    0.6479    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507   -1.3608    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864   -0.0102    2.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529   -2.2264   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227   -2.6873   -0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4588   -1.0349    0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7987    0.2551    2.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4381    0.7202    2.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6669    0.2317   -1.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 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
 35 37  1  0
 37 38  2  0
 30 39  1  0
 39 40  1  0
 40 41  2  0
 40  5  1  0
 16 11  1  0
 38 32  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  1
  6 52  1  0
  9 53  1  1
 10 54  1  0
 10 55  1  0
 12 56  1  0
 13 57  1  0
 14 58  1  0
 15 59  1  0
 16 60  1  0
 17 61  1  0
 20 62  1  1
 21 63  1  0
 21 64  1  0
 21 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 24 69  1  0
 24 70  1  0
 25 71  1  0
 25 72  1  0
 26 73  1  0
 26 74  1  0
 27 75  1  0
 30 76  1  1
 31 77  1  0
 31 78  1  0
 33 79  1  0
 34 80  1  0
 36 81  1  0
 37 82  1  0
 38 83  1  0
 39 84  1  0
M  END
$$$$
