REMARK  Name = BDB030117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.612   0.459   0.193  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.772   0.250   1.181  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.633   0.260  -0.377  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.770   0.150  -1.594  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.807   0.172   0.532  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.686   0.210   1.920  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.477   0.325   2.494  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        2.819   0.123   2.728  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        2.670   0.173   4.444  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.088  -0.004   2.160  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.236  -0.047   0.768  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.086   0.044  -0.035  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.539  -0.176   0.135  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.721  -0.067  -1.225  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.007  -0.242  -1.429  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.666  -0.460  -0.256  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.081  -0.694  -0.122  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.747  -0.421   0.756  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.814   0.190  -0.727  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.488   0.073  -1.702  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.712  -1.204  -0.298  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -2.405  -2.253  -1.242  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.518  -1.391   1.129  0.00  0.00    -0.152 OA
BRANCH  21  28
ATOM     24  C   LIG    1       -6.994   0.148  -1.027  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1       -6.050   0.169  -2.058  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -4.743  -0.246  -1.821  0.00  0.00    +0.153 A 
ATOM     27  F   LIG    1       -3.860  -0.203  -2.828  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1       -4.368  -0.680  -0.559  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1       -5.299  -0.708   0.482  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1       -6.614  -0.291   0.244  0.00  0.00    +0.048 A 
BRANCH  24  32
ATOM     31  C   LIG    1       -9.245   0.570  -0.382  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -8.240   0.579  -1.389  0.00  0.00    -0.495 OA
ENDBRANCH  24  32
ENDBRANCH  21  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6