REMARK  Name = BDB023288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.138  -2.436   1.222  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.058  -2.800   0.280  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.223  -1.485   1.693  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.456  -0.782   2.666  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.015  -1.405   0.895  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.875  -0.399   1.185  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.918  -0.505   0.321  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.723  -1.575  -0.536  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.712  -1.829  -1.492  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.845  -1.010  -1.560  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.013   0.075  -0.687  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.584  -2.852  -2.349  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.032   0.334   0.288  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.481  -2.153  -0.162  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.170   0.880  -0.762  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        5.319   2.236  -0.311  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        6.607   2.280  -1.139  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.010   1.097  -1.907  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.693  -2.559   1.788  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -4.406  -3.370   0.823  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.638  -2.954   3.179  0.00  0.00    -0.150 OA
BRANCH  19  30
ATOM     22  C   LIG    1       -2.962   1.140  -2.447  0.00  0.00    +0.197 C 
ATOM     23  N   LIG    1       -3.594   0.896  -1.173  0.00  0.00    -0.185 N 
ATOM     24  N   LIG    1       -3.411  -0.269  -0.529  0.00  0.00    -0.150 NA
ATOM     25  C   LIG    1       -4.131  -0.094   0.598  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1       -4.703   1.259   0.562  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1       -5.497   1.773   1.604  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1       -5.694   0.894   2.686  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.146  -0.414   2.732  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1       -4.359  -0.948   1.689  0.00  0.00    +0.138 A 
ATOM     31  N   LIG    1       -4.330   1.847  -0.585  0.00  0.00    -0.152 NA
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 4