B6AUG4
  -OEChem-04012118322D

102107  0     1  0  0  0  0  0999 V2000
    5.4641    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8205   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8205   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7583    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3923   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1244   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2379   -2.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7128   -2.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9282   -2.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4031   -2.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5851   -0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7880   -0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8572   -0.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3409    0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8660    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6507    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1757    0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8689   -3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4704   -2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4534    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6444    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2458    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9345    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3330    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5104    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1119    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2085    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9685    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 47  1  0  0  0  0
  2 48  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  4 20  1  0  0  0  0
  4 79  1  0  0  0  0
  5 20  2  0  0  0  0
  6 22  2  0  0  0  0
  7 41  1  0  0  0  0
  7 43  1  0  0  0  0
  8 42  1  0  0  0  0
  8 45  1  0  0  0  0
  9 44  1  0  0  0  0
  9 46  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 29  1  0  0  0  0
 11 77  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 20  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 21 66  1  0  0  0  0
 23 27  1  0  0  0  0
 23 31  1  6  0  0  0
 23 67  1  0  0  0  0
 24 28  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 30  1  0  0  0  0
 26 32  2  0  0  0  0
 27 29  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 30  2  0  0  0  0
 28 33  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 76  1  0  0  0  0
 31 35  2  0  0  0  0
 31 36  1  0  0  0  0
 32 34  1  0  0  0  0
 32 78  1  0  0  0  0
 33 34  2  0  0  0  0
 33 80  1  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 81  1  0  0  0  0
 36 39  2  0  0  0  0
 36 82  1  0  0  0  0
 37 40  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 38 41  2  0  0  0  0
 38 85  1  0  0  0  0
 39 41  1  0  0  0  0
 39 86  1  0  0  0  0
 40 42  1  0  0  0  0
 40 87  1  0  0  0  0
 40 88  1  0  0  0  0
 42 89  1  0  0  0  0
 42 90  1  0  0  0  0
 43 44  1  0  0  0  0
 43 91  1  0  0  0  0
 43 92  1  0  0  0  0
 44 93  1  0  0  0  0
 44 94  1  0  0  0  0
 45 95  1  0  0  0  0
 45 96  1  0  0  0  0
 45 97  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  2  0  0  0  0
 49 51  2  0  0  0  0
 49 98  1  0  0  0  0
 50 51  1  0  0  0  0
 50 99  1  0  0  0  0
 51 52  1  0  0  0  0
 52100  1  0  0  0  0
 52101  1  0  0  0  0
 52102  1  0  0  0  0
M  END

$$$$