BA7Y4K
  -OEChem-04012119512D

108112  0     1  0  0  0  0  0999 V2000
   12.4994   -1.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8066    1.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    1.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1673   -2.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    3.6642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2927   -1.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5138    2.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3634    3.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8531   -1.2141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5174    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8781   -3.6532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9211   -5.6751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5604   -0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206    2.2561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9390   -2.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0097    3.4129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1637   -0.2636    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2103   -2.9089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2317   -3.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9211   -4.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1422   -0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5209   -1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495    1.0188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9749   -4.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4959    0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4529    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9749   -5.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5047   -4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1602    1.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5819   -0.3441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8710    0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088   -3.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4314    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088   -5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7851    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8566   -3.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2428   -4.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7421    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2428   -5.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2712   -1.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0957    2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924    2.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0742    2.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244   -4.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677    0.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -0.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0312    3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3204    4.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6526    5.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2989    4.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9632    6.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6741    4.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6096    5.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9417    6.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5778   -0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0176   -3.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2112   -2.4955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6179   -3.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1628   -0.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7561   -0.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2464   -1.3419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6569    0.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3248   -0.3148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1247   -4.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6855   -4.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1137   -6.2644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7071    1.6773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5428    2.4572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9959   -0.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088   -3.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9744   -0.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404    0.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828    0.9754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8455    0.6379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088   -6.4904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1784    1.5096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7059   -4.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7059   -5.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6817    3.0495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2668    3.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0630   -4.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9385   -4.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9859   -3.7772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4603    1.5276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389   -1.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1346    1.7947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751    1.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -1.5521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464   -2.6283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457   -1.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3890    4.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    0.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -0.5526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -1.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4238    2.9514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7130    4.1081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5492    6.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5462    5.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0674    4.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8019    4.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2162    5.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1343    6.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  2  0  0  0  0
  2 25  2  0  0  0  0
  3 31  2  0  0  0  0
  4 37  2  0  0  0  0
  5 44  1  0  0  0  0
  5 97  1  0  0  0  0
  6 42  2  0  0  0  0
  7 44  2  0  0  0  0
  8 52  2  0  0  0  0
  9 17  1  0  0  0  0
  9 22  1  0  0  0  0
  9 67  1  0  0  0  0
 23 10  1  1  0  0  0
 10 25  1  0  0  0  0
 10 69  1  0  0  0  0
 18 11  1  6  0  0  0
 11 37  1  0  0  0  0
 11 71  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 72  1  0  0  0  0
 30 13  1  6  0  0  0
 13 31  1  0  0  0  0
 13 77  1  0  0  0  0
 14 40  1  0  0  0  0
 14 52  1  0  0  0  0
 14 92  1  0  0  0  0
 15 42  1  0  0  0  0
 15 95  1  0  0  0  0
 15 96  1  0  0  0  0
 16 52  1  0  0  0  0
 16 54  1  0  0  0  0
 16101  1  0  0  0  0
 17 21  1  0  0  0  0
 17 25  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 18 62  1  0  0  0  0
 19 20  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 24  1  0  0  0  0
 20 28  2  0  0  0  0
 21 26  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 23 29  1  0  0  0  0
 23 31  1  0  0  0  0
 23 68  1  0  0  0  0
 24 27  1  0  0  0  0
 24 32  2  0  0  0  0
 26 34  2  0  0  0  0
 26 36  1  0  0  0  0
 27 35  2  0  0  0  0
 28 70  1  0  0  0  0
 29 44  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 30 33  1  0  0  0  0
 30 42  1  0  0  0  0
 30 75  1  0  0  0  0
 32 38  1  0  0  0  0
 32 76  1  0  0  0  0
 33 39  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 40  1  0  0  0  0
 34 80  1  0  0  0  0
 35 41  1  0  0  0  0
 35 81  1  0  0  0  0
 36 43  2  0  0  0  0
 36 82  1  0  0  0  0
 37 46  1  0  0  0  0
 38 41  2  0  0  0  0
 38 83  1  0  0  0  0
 39 47  2  0  0  0  0
 39 48  1  0  0  0  0
 40 45  2  0  0  0  0
 41 84  1  0  0  0  0
 43 45  1  0  0  0  0
 43 85  1  0  0  0  0
 45 86  1  0  0  0  0
 46 87  1  0  0  0  0
 46 88  1  0  0  0  0
 46 89  1  0  0  0  0
 47 49  1  0  0  0  0
 47 90  1  0  0  0  0
 48 50  2  0  0  0  0
 48 91  1  0  0  0  0
 49 51  2  0  0  0  0
 49 93  1  0  0  0  0
 50 51  1  0  0  0  0
 50 94  1  0  0  0  0
 51 53  1  0  0  0  0
 53 98  1  0  0  0  0
 53 99  1  0  0  0  0
 53100  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
 55 57  2  0  0  0  0
 55 58  1  0  0  0  0
 56 59  1  0  0  0  0
 56102  1  0  0  0  0
 57 60  1  0  0  0  0
 57103  1  0  0  0  0
 58104  1  0  0  0  0
 58105  1  0  0  0  0
 58106  1  0  0  0  0
 59 60  2  0  0  0  0
 59107  1  0  0  0  0
 60108  1  0  0  0  0
M  END

$$$$