REMARK  Name = BDB053933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.970   1.754  -0.061  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.938   1.385  -0.904  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1        1.079   0.604  -1.530  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.794   2.555   0.853  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.350   0.889  -2.895  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        3.836   0.693  -1.503  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        3.235   1.095  -0.322  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        4.267   0.725   0.997  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        5.407   0.006  -0.070  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        5.055   0.051  -1.341  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        6.665  -0.607   0.410  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        7.510  -1.236  -0.524  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        8.712  -1.835  -0.133  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        9.089  -1.812   1.206  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       10.566  -2.546   1.693  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        8.275  -1.196   2.151  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.072  -0.598   1.756  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.416   1.881  -0.742  0.00  0.00    +0.109 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.327   0.873  -0.029  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -2.792   1.329  -0.100  0.00  0.00    +0.110 C 
ATOM     21  N   LIG    1       -3.674   0.296   0.455  0.00  0.00    -0.330 N 
ATOM     22  C   LIG    1       -3.141  -0.586   1.500  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1       -2.060   0.132   2.303  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -0.908   0.628   1.429  0.00  0.00    +0.008 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.985   0.163   0.013  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -5.688  -1.048   0.139  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -7.013  -1.187  -0.308  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -7.665  -0.102  -0.896  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -6.996   1.108  -1.033  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -5.676   1.232  -0.584  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.755  -2.464  -0.182  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -8.894  -2.666  -0.560  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -7.038  -3.434   0.414  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -7.651  -4.199   0.427  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7