REMARK  Name = BDB030174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.379   0.374   0.725  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.505  -0.368   1.420  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.862   0.568   0.143  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.980   1.150  -0.935  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.057   0.039   0.852  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.972  -0.632   2.071  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.777  -0.833   2.651  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.125  -1.102   2.696  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.022  -1.927   4.205  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.374  -0.908   2.107  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.485  -0.240   0.879  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.318   0.231   0.260  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.802  -0.055   0.289  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.963  -0.441   0.922  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.938  -0.126   0.099  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.457   0.448  -1.039  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.251   0.912  -2.148  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.094   0.503  -0.939  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.585   0.595  -0.210  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.260   1.008  -1.101  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.427  -0.857  -0.594  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -2.159  -1.088  -1.995  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.098  -1.815   0.441  0.00  0.00    -0.152 OA
BRANCH  21  27
ATOM     24  C   LIG    1       -6.819   0.272  -0.154  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1       -5.832   0.992   0.541  0.00  0.00    +0.160 A 
ATOM     26  C   LIG    1       -4.481   0.664   0.432  0.00  0.00    +0.080 A 
ATOM     27  C   LIG    1       -4.111  -0.403  -0.391  0.00  0.00    +0.145 A 
ATOM     28  C   LIG    1       -5.077  -1.126  -1.077  0.00  0.00    +0.153 A 
ATOM     29  F   LIG    1       -4.742  -2.169  -1.848  0.00  0.00    -0.203 F 
ATOM     30  C   LIG    1       -6.427  -0.795  -0.965  0.00  0.00    +0.089 A 
BRANCH  24  32
ATOM     31  C   LIG    1       -9.132  -0.025  -0.658  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -8.111   0.685   0.029  0.00  0.00    -0.491 OA
ENDBRANCH  24  32
BRANCH  25  33
ATOM     33  O   LIG    1       -6.214   2.036   1.341  0.00  0.00    -0.503 OA
ATOM     34  H   LIG    1       -5.436   2.432   1.764  0.00  0.00    +0.292 HD
ENDBRANCH  25  33
ENDBRANCH  21  27
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7