REMARK  Name = BDB029850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364  -0.397  -1.575  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.134  -1.421  -2.109  0.00  0.00    -0.227 N 
ATOM      3  H   LIG    1       -0.745  -2.365  -2.134  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.832   0.679  -1.208  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.291   0.244  -0.806  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.904   0.404  -0.950  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.101  -0.638  -1.448  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.700  -1.848  -1.799  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.954  -2.862  -2.269  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.076  -2.018  -1.662  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.816  -3.511  -2.100  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.868  -0.980  -1.171  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        5.012   4.495   1.101  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        4.901   3.172   0.542  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        3.745   2.541   0.176  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.143   1.307  -0.295  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.514   1.190  -0.218  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.939   2.326   0.288  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.623  -1.349  -1.859  0.00  0.00    -0.097 NA
ATOM     20  H   LIG    1       -3.227  -1.484  -2.672  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.207  -2.201  -0.523  0.00  0.00    +0.113 S 
ATOM     22  O   LIG    1       -2.119  -2.447   0.396  0.00  0.00    -0.140 OA
ATOM     23  O   LIG    1       -4.011  -3.282  -1.043  0.00  0.00    -0.140 OA
BRANCH  21  24
ATOM     24  N   LIG    1       -4.236  -1.045   0.141  0.00  0.00    -0.161 NA
ATOM     25  C   LIG    1       -5.095  -1.560   1.257  0.00  0.00    +0.138 C 
ATOM     26  C   LIG    1       -4.582  -1.072   2.614  0.00  0.00    +0.177 C 
ATOM     27  O   LIG    1       -4.611   0.356   2.744  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -4.427   1.040   1.495  0.00  0.00    +0.177 C 
ATOM     29  C   LIG    1       -3.571   0.255   0.497  0.00  0.00    +0.138 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5