BTID28
  -OEChem-04012118322D

107111  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
   11.5263   -1.0000    0.0000 O   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
    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
   22.7846   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -3.0000    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
   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
   12.3923   -2.5000    0.0000 C   0  0  1  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
   12.3923   -1.5000    0.0000 C   0  0  0  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
   11.5263   -4.0000    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
   10.6603   -2.5000    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
    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
   14.9904    0.0000    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
   15.8564    0.5000    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   -1.0000    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    0.0000    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
   16.7224    2.0000    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
   19.3205   -1.5000    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
   21.0526   -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
   21.5526   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5526   -2.3660    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
   21.9186   -2.0000    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
   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
   13.7953   -4.3100    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
   14.4534    0.3100    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
    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
   17.2594    0.3100    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
   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
   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
   18.9220   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7190   -1.9750    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
   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
   22.0895   -0.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8626   -0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0156   -0.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0156   -2.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2426   -2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0895   -2.6760    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
   23.3215   -1.8100    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 48  1  0  0  0  0
  2 49  1  0  0  0  0
  3 17  2  0  0  0  0
  4 31  1  0  0  0  0
  4 36  1  0  0  0  0
  5 32  1  0  0  0  0
  5 41  1  0  0  0  0
  6 40  1  0  0  0  0
  6 46  1  0  0  0  0
  7 44  1  0  0  0  0
  7 47  1  0  0  0  0
  8 45  1  0  0  0  0
  8102  1  0  0  0  0
  9 45  2  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 21  1  0  0  0  0
 11 69  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 54  1  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 15 19  1  0  0  0  0
 15 59  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  6  0  0  0
 16 60  1  0  0  0  0
 18 23  1  0  0  0  0
 18 61  1  0  0  0  0
 18 62  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 29  1  0  0  0  0
 24 70  1  0  0  0  0
 25 30  2  0  0  0  0
 25 71  1  0  0  0  0
 26 28  2  0  0  0  0
 26 72  1  0  0  0  0
 27 31  1  0  0  0  0
 27 73  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  1  0  0  0  0
 29 32  2  0  0  0  0
 29 74  1  0  0  0  0
 30 32  1  0  0  0  0
 30 75  1  0  0  0  0
 31 33  2  0  0  0  0
 33 76  1  0  0  0  0
 34 35  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 35 40  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 36 37  1  0  0  0  0
 36 81  1  0  0  0  0
 36 82  1  0  0  0  0
 37 38  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 38 39  1  0  0  0  0
 38 85  1  0  0  0  0
 38 86  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 45  1  0  0  0  0
 40 87  1  0  0  0  0
 40 88  1  0  0  0  0
 41 44  1  0  0  0  0
 41 89  1  0  0  0  0
 41 90  1  0  0  0  0
 42 91  1  0  0  0  0
 42 92  1  0  0  0  0
 42 93  1  0  0  0  0
 43 94  1  0  0  0  0
 43 95  1  0  0  0  0
 43 96  1  0  0  0  0
 44 97  1  0  0  0  0
 44 98  1  0  0  0  0
 46 99  1  0  0  0  0
 46100  1  0  0  0  0
 46101  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  2  0  0  0  0
 50 52  2  0  0  0  0
 50103  1  0  0  0  0
 51 52  1  0  0  0  0
 51104  1  0  0  0  0
 52 53  1  0  0  0  0
 53105  1  0  0  0  0
 53106  1  0  0  0  0
 53107  1  0  0  0  0
M  END

$$$$