B80EYR
  -OEChem-04022102403D

 69 73  0     0  0  0  0  0  0999 V2000
    1.9167    0.6511   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3718    1.6107    1.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769   -2.9655    2.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.1085   -0.6102 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    0.7253   -0.0266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4615   -1.3863    0.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8637   -3.1400    0.2064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7859    2.2072   -0.6405 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430    2.0186    0.1438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2602    2.7836   -2.4185 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759   -1.2867   -0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5531   -1.6565   -1.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0358   -0.1257   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782   -0.6759    0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923    0.1739    0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9800   -2.1312   -1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7100   -0.3462    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2226   -1.8283   -0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5129   -0.1246   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8398   -1.1705    0.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931   -1.6297   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -2.3824    0.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    1.7053    0.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4156   -0.4885   -1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859    2.2882    1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2262    1.2355    0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283   -2.2838    1.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -3.2890    0.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4028    2.8078    1.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4283    2.6012    0.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.3303    1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0005    0.4839   -1.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6244    1.5559    2.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7780   -1.9157   -1.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6555    1.8050   -1.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4895    0.5245   -0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8602    1.7732   -1.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9976    2.6538   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -0.7968   -2.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632   -2.4696   -2.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4473    1.0685    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8771   -3.0346   -1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6209    0.0308    1.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -1.2144    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   -2.4975   -0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8318   -0.8562    1.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3526   -2.1368    0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566   -0.8107   -1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461    2.4951    0.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700    1.3365    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601    2.5373    0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6721    3.2055    1.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1196   -0.8619   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2985   -4.0618    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9179    3.1021    2.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7392    3.6350    1.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9449    3.5517    0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9245    2.2832   -0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    0.3686    2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7051    0.2163   -2.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1710    0.7643    2.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3108   -2.3374   -0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4349   -2.0196   -2.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8822   -2.5108   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -0.4635   -1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6411    2.0102   -2.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9560    3.7319   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5439    2.5166   -3.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9994    3.7481   -2.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2 26  1  0  0  0  0
  2 30  1  0  0  0  0
  3 27  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 36  1  0  0  0  0
  6 20  1  0  0  0  0
  6 27  1  0  0  0  0
  6 53  1  0  0  0  0
  7 28  2  0  0  0  0
  8 26  1  0  0  0  0
  8 35  2  0  0  0  0
  9 38  2  0  0  0  0
 10 35  1  0  0  0  0
 10 68  1  0  0  0  0
 10 69  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 26  2  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  2  0  0  0  0
 21 48  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 32  2  0  0  0  0
 24 34  1  0  0  0  0
 25 31  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 33  2  0  0  0  0
 31 59  1  0  0  0  0
 32 35  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 36 37  2  0  0  0  0
 36 65  1  0  0  0  0
 37 38  1  0  0  0  0
 37 66  1  0  0  0  0
 38 67  1  0  0  0  0
M  END

$$$$