
     RDKit          3D

 71 74  0  0  0  0  0  0  0  0999 V2000
   -2.9852    0.5809   -3.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    0.9987   -2.1647 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5322    1.0480   -1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0668    1.5149    0.1972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    2.9653    0.3953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8259    3.5316    1.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3771    3.3081    0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423    3.0353    2.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138    0.5961    1.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797    0.5462    2.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2091   -0.2432    1.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1472   -1.6958    1.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0406   -2.5440    1.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4778   -3.4679    0.8541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434   -4.7339    0.7349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2327   -5.2964   -0.3000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585   -4.3507   -0.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6130   -3.1915   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9855   -1.8635   -0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6630   -1.2453   -1.5245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025    0.0867   -1.7306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0809    0.1160   -2.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -0.3975   -2.2984 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319   -1.6539   -2.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756    0.4021   -1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228    1.5170   -0.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2815   -0.0259   -0.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8832    0.5098    0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0814   -0.1744    0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346   -0.0153    1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9677    0.8566    2.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9755    0.9864    3.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1564    0.2508    3.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3328   -0.6167    2.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280   -0.7514    1.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1526   -1.0222   -0.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0921   -0.9581   -1.3488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562    0.7544   -4.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -0.4907   -3.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826    1.1913   -3.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0096    2.0365   -2.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3337    1.7330   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0125    0.0594   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776    3.4956   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8696    3.3409    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6764    3.0606    2.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6846    4.6296    1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903    4.3834    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075    2.7249    0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    3.8416    2.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3087   -0.2472    2.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1274    0.2366    1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1254   -2.1795    1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0372   -1.7159    0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4693   -3.1204    2.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -1.9254    2.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425   -4.4973   -1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0075   -1.2392    0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749   -2.0453   -0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    0.5424   -0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116   -0.4709   -3.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737    1.1570   -3.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122   -2.3448   -2.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770   -2.1804   -3.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6152   -1.4443   -3.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4952    1.2849    0.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0616    1.4341    2.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8385    1.6573    4.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9345    0.3518    4.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2484   -1.1866    2.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4844   -1.4305    0.4933 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
  5  6  1  0
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 29 36  1  0
 36 37  1  0
 21  2  1  0
 37 27  2  0
 18 14  1  0
 35 30  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  6
  3 42  1  0
  3 43  1  0
  5 44  1  6
  6 45  1  0
  6 46  1  0
  6 47  1  0
  7 48  1  0
  7 49  1  0
  8 50  1  0
 11 51  1  0
 11 52  1  0
 12 53  1  0
 12 54  1  0
 13 55  1  0
 13 56  1  0
 17 57  1  0
 19 58  1  0
 19 59  1  0
 21 60  1  1
 22 61  1  0
 22 62  1  0
 24 63  1  0
 24 64  1  0
 24 65  1  0
 28 66  1  0
 31 67  1  0
 32 68  1  0
 33 69  1  0
 34 70  1  0
 35 71  1  0
M  END
$$$$
