
     RDKit          3D

 76 79  0  0  0  0  0  0  0  0999 V2000
    8.9068   -2.5748   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4663   -2.3748    0.0141 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2088   -1.7963    1.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7986   -0.3174    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434   -0.1399    0.4314 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    0.9372    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0424    1.8845    1.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3769    0.9853   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194    1.7465    0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    1.7310    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6882    2.7176   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5246    2.6850   -1.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597    1.6639   -1.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710    0.6584   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0710    0.7056    0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1298   -0.4393    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2681    0.0972    0.8425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748    0.4219    2.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6315    1.6337    2.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6683    1.5168    3.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3822    2.6499    4.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0672    3.9031    3.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0386    4.0258    2.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3243    2.8957    2.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4912   -0.7571    0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2150   -2.2485    0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353   -2.8243    1.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3427   -3.0364   -0.4669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7485   -2.5624   -1.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718   -2.6468   -2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -1.5223   -3.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181   -0.2936   -3.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4756    0.7108   -2.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284    1.7572   -2.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5097   -1.0140   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8687   -1.6188   -1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4594   -1.6111   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3122   -3.2916    0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0826   -3.0153   -1.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0842   -1.9098    2.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3803   -2.3719    1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6460    0.3036    0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5443    0.0010    2.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142    1.4772   -1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122   -0.0510   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444    2.7998    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143    1.2828    1.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    3.5133   -1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7378    3.4604   -2.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3213   -0.0530    1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676   -0.9772   -0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -1.2205    0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929    0.6630    2.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.4466    2.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9273    0.5508    4.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1814    2.5562    4.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6211    4.7780    3.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7956    4.9957    2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346    3.0023    1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1198   -0.5801    1.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1535   -0.4158   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0929   -4.0496   -0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1917   -1.5585   -1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5683   -3.2176   -2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6487   -3.6235   -3.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960   -2.6812   -2.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318   -1.9461   -4.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6098   -1.2173   -4.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712   -0.6163   -2.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4269    0.2348   -4.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2777    1.1737   -3.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869    0.2482   -1.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1454   -0.4305   -1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7811   -1.8241   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7305   -2.3031   -1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5408   -0.7895   -1.4338 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
  6  7  2  0
  6  8  1  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
 14 16  1  0
 16 17  1  0
 17 18  1  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
 17 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
  5 35  1  0
 35 36  1  0
 36  2  1  0
 15 10  1  0
 24 19  1  0
 34 13  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 11 48  1  0
 12 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 18 53  1  0
 18 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 23 58  1  0
 24 59  1  0
 25 60  1  0
 25 61  1  0
 28 62  1  0
 29 63  1  0
 29 64  1  0
 30 65  1  0
 30 66  1  0
 31 67  1  0
 31 68  1  0
 32 69  1  0
 32 70  1  0
 33 71  1  0
 33 72  1  0
 35 73  1  0
 35 74  1  0
 36 75  1  0
 36 76  1  0
M  END
$$$$
