REMARK  Name = BDB000815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.760   0.382  -0.533  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.514   0.249   0.113  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.495  -0.126   1.468  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.675  -0.414   2.155  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.900  -0.316   1.506  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.943   0.083   0.172  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  F   LIG    1       -1.366  -0.130  -2.841  0.00  0.00    -0.166 F 
ATOM      8  C   LIG    1       -1.845   0.807  -1.978  0.00  0.00    +0.419 C 
ATOM      9  F   LIG    1       -1.148   1.953  -2.233  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.120   1.065  -2.391  0.00  0.00    -0.166 F 
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1        0.676   0.590  -0.575  0.00  0.00    -0.293 N 
ATOM     12  H   LIG    1        0.730   1.597  -0.727  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.902   0.046  -0.365  0.00  0.00    +0.163 A 
ATOM     14  S   LIG    1        2.178  -1.651  -0.140  0.00  0.00    -0.045 S 
ATOM     15  C   LIG    1        3.842  -1.354  -0.038  0.00  0.00    +0.076 A 
ATOM     16 BR   LIG    1        5.157  -2.700   0.247  0.00  0.00    -0.041 Br
ATOM     17  C   LIG    1        4.111  -0.020  -0.196  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        2.998   0.777  -0.393  0.00  0.00    -0.232 NA
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 3