B5HQS9
  -OEChem-04022107313D

 67 71  0     1  0  0  0  0  0999 V2000
   -4.2299    1.5407   -0.6337 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144    0.4938    0.3699 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985    0.0599    3.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    2.9763   -0.6425 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1614   -0.8867   -0.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9137   -1.0188   -1.5339 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170    2.7577   -0.4205 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8166    2.2465   -0.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4706   -0.1844   -1.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7193   -3.3767   -1.3494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341   -0.2016    1.0016 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1808   -0.6455    0.3039 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1130    0.0446    0.8273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6132    1.3440    1.1613 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0836    1.5661    0.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.9592    1.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7335   -0.6997    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945   -2.1834    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7266   -0.8171    2.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884   -0.1635   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662   -0.5865    2.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164    0.3689   -0.0267 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0651    2.0285   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2693   -2.7658    1.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4252   -2.0560    2.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   -0.1132   -0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    0.3909   -0.4888 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5269    1.5045   -0.1125 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0503   -0.0275   -2.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1157   -0.7237   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    1.3761   -0.8843 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2936   -1.0639   -1.1805 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3831   -0.0516   -0.8192 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2581   -0.5920   -2.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780   -2.5002   -1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841   -0.3171   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3984    1.6016    1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7749    2.0351    1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312    2.0176   -0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205    1.6614    2.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4137    3.0535    1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3728   -0.9534   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1636   -1.6251    0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9619   -2.6869    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4322   -2.4470   -0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9499   -0.5067    3.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7452   -1.9109    2.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857   -0.5039    2.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335    0.2572   -1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.2240   -0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2338    0.6574    0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309   -3.8432    1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081   -2.5268    3.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2255    0.5185   -1.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7141    1.5012    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3297    0.3897   -2.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5033   -1.0057    0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7169    1.7002   -1.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9679   -0.9381   -2.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7729   -0.2521    0.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7693   -0.7578   -3.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0525   -2.6977    0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338   -2.7153   -1.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7395    2.7801   -1.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9358    1.9947    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1322   -0.0217   -2.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0477   -4.2840   -1.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  2 27  1  0  0  0  0
  3 21  2  0  0  0  0
  4 23  2  0  0  0  0
  5 27  1  0  0  0  0
  5 32  1  0  0  0  0
  6 30  1  0  0  0  0
  6 34  1  0  0  0  0
  7 28  1  0  0  0  0
  7 64  1  0  0  0  0
  8 31  1  0  0  0  0
  8 65  1  0  0  0  0
  9 33  1  0  0  0  0
  9 66  1  0  0  0  0
 10 35  1  0  0  0  0
 10 67  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 22  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 24  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
 28 31  1  0  0  0  0
 28 55  1  0  0  0  0
 29 34  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
M  END

$$$$