
     RDKit          3D

 96 98  0  0  0  0  0  0  0  0999 V2000
    0.8242    5.4422    0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4013    5.2297   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7365    6.1779   -1.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    3.7493   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493    3.0907   -0.9859 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3787    2.6535    0.3886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319    2.0890    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753    3.1928    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2188    2.6747    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8595    2.1179    1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9821    1.1915    2.6042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8762   -0.2189    2.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -0.9316    3.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5250   -0.8886    1.1594 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8553   -1.5377    1.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5852   -2.1059    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2587   -1.2499   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9153   -1.7725   -1.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9000   -3.1486   -1.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2286   -4.0067   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5678   -3.4878    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6122   -1.9020    0.6187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6900   -1.5978   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0606   -0.8670   -1.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2501   -2.0466   -0.3765 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1117   -3.4991    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210   -1.1592    0.5329 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7843   -0.6125    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143   -0.5913    1.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870    0.0362   -1.0292 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9481   -0.9420   -1.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275   -1.4322   -1.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3673   -0.6162   -1.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5390   -1.0497   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5847   -2.3077   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7086   -2.8243    0.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0556   -2.3312    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6849   -2.1975   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8532   -3.3878    1.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1234   -1.0080    1.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4393   -3.1103   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -2.6835   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275    0.5918   -1.7363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1419    1.9864   -2.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449    2.3165   -3.2089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813    4.7275    1.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2779    5.3083    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0489    6.4745    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    5.5127   -0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679    6.0548   -1.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    7.2316   -1.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    5.9905   -2.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7648    3.7045   -2.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0567    3.1624   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892    3.8568   -1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268    1.9605    0.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151    1.4745   -0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289    1.4066    1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222    4.0095    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6358    3.6350    1.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660    1.9313   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    3.5234    0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8274    1.6263    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0901    2.9734    2.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4812    1.5649    3.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7455   -0.1383    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6685   -2.3316    2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5046   -0.7780    2.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2711   -0.1793   -0.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4305   -1.1079   -2.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4052   -3.5509   -2.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2203   -5.0729   -1.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0388   -4.1605    0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4753   -2.7809    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8252   -2.0060   -1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059   -3.5849    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8265   -4.1553   -0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0786   -3.8602   -0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589   -1.1231    1.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.8665   -0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927   -0.4235   -2.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022   -1.8026   -2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3473    0.3607   -1.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3790   -0.3793   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2131   -1.3992   -1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656   -1.9520   -0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5871   -3.1557   -1.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8009   -4.3720    0.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -3.0963    1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4266   -3.5144    2.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4983   -1.0750    2.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1708   -0.7920    1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7869   -0.1366    0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4523   -4.0742    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982   -3.3261   -0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -0.0535   -2.3328 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  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
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 23 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  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 35 41  1  0
 41 42  2  0
 30 43  1  0
 43 44  1  0
 44 45  2  0
 44  5  1  0
 21 16  1  0
 42 32  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  2 49  1  0
  3 50  1  0
  3 51  1  0
  3 52  1  0
  4 53  1  0
  4 54  1  0
  5 55  1  6
  6 56  1  0
  7 57  1  0
  7 58  1  0
  8 59  1  0
  8 60  1  0
  9 61  1  0
  9 62  1  0
 10 63  1  0
 10 64  1  0
 11 65  1  0
 14 66  1  6
 15 67  1  0
 15 68  1  0
 17 69  1  0
 18 70  1  0
 19 71  1  0
 20 72  1  0
 21 73  1  0
 22 74  1  0
 25 75  1  6
 26 76  1  0
 26 77  1  0
 26 78  1  0
 27 79  1  0
 30 80  1  1
 31 81  1  0
 31 82  1  0
 33 83  1  0
 34 84  1  0
 38 85  1  0
 38 86  1  0
 38 87  1  0
 39 88  1  0
 39 89  1  0
 39 90  1  0
 40 91  1  0
 40 92  1  0
 40 93  1  0
 41 94  1  0
 42 95  1  0
 43 96  1  0
M  END
$$$$
