
     RDKit          3D

 81 84  0  0  0  0  0  0  0  0999 V2000
    5.2654    3.1740   -1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6415    3.0851    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897    4.4824    0.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3070    2.2877    0.3659 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4594    1.0043   -0.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120   -0.0760    0.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6187    0.0554    1.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950   -1.4282   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -1.2213   -1.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4988   -2.4476   -2.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0947   -2.4255    0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256   -2.0211    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811   -1.9816   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -2.1953    0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549   -2.6271    1.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2378   -3.2387    2.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -3.6102    2.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0411   -3.3578    1.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3885   -3.7030    1.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3066   -3.4136    0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8737   -2.7592   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5497   -2.4706   -0.7183 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6348   -2.7374    0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2974   -2.3740    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8256   -2.4469   -1.7146 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2168   -1.9645   -1.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324   -1.5013   -2.6740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7314   -0.1750   -2.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1688    0.4546   -3.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8605    0.5114   -1.0606 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8540    1.6786   -1.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0381    2.4039    0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994    2.1242    1.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6271    1.9239    0.4401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    1.0032   -0.6362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    2.5848    0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147    3.5521    1.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510    2.0705    0.5296 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4036    1.0733    1.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113    3.1747    0.3968 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1506    2.9935   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    3.4083   -1.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3438    2.1668   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6781    3.8370   -1.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926    3.5911   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    2.5344    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8251    5.1210    0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4825    4.9749    1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626    4.4056    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0394    2.1490    1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612   -0.7266   -1.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7202   -0.5536   -2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479   -2.2370   -3.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9698   -3.4309   -0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855   -2.5523    1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6765   -1.4497    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524   -2.1889   -1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6205   -2.0332    1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9499   -3.4287    3.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -4.0833    3.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7311   -4.1930    2.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3414   -3.6985    0.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -1.8564   -0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9870   -3.4078   -2.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8108   -2.8181   -0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1655   -1.1940   -0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7676   -1.5448   -2.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1142   -1.8494   -3.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2321   -0.1915   -0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8400    1.3043   -1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4774    2.4066   -1.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1025    3.4988   -0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9979    2.0904    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8444    2.9612    1.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1284    1.2032    1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9910    0.1790   -0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0991    1.5427   -0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3092    0.5348    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848    0.3102    1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216    1.5968    2.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658    4.1598    0.4538 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
  8 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  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
 21 25  1  0
 25 26  1  0
 25 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  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  2  0
 41  4  1  0
 24 15  1  0
 35 30  1  0
 23 18  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  3 47  1  0
  3 48  1  0
  3 49  1  0
  4 50  1  1
  9 51  1  0
  9 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 12 56  1  0
 13 57  1  0
 14 58  1  0
 16 59  1  0
 17 60  1  0
 19 61  1  0
 20 62  1  0
 24 63  1  0
 25 64  1  6
 26 65  1  0
 26 66  1  0
 26 67  1  0
 27 68  1  0
 30 69  1  1
 31 70  1  0
 31 71  1  0
 32 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 35 76  1  0
 38 77  1  6
 39 78  1  0
 39 79  1  0
 39 80  1  0
 40 81  1  0
M  END
$$$$
