REMARK  Name = BDB002865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.129  -1.233   1.113  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.259  -0.447   0.575  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -2.745   0.636   1.452  0.00  0.00    +0.128 C 
ATOM      4  C   LIG    1       -3.242   1.843   0.650  0.00  0.00    +0.161 C 
ATOM      5  N   LIG    1       -4.619   1.665   0.188  0.00  0.00    -0.278 NA
ATOM      6  C   LIG    1       -4.904   0.702  -0.626  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -3.961  -0.306  -1.212  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -2.860  -0.780  -0.623  0.00  0.00    +0.072 C 
BRANCH   6   9
ATOM      9  C   LIG    1       -6.353   0.539  -1.113  0.00  0.00    +0.434 C 
ATOM     10  F   LIG    1       -6.824  -0.721  -0.894  0.00  0.00    -0.164 F 
ATOM     11  F   LIG    1       -7.238   1.390  -0.528  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -6.451   0.744  -2.459  0.00  0.00    -0.164 F 
ENDBRANCH   6   9
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        0.188  -0.673   0.609  0.00  0.00    +0.190 C 
BRANCH  13  14
ATOM     14  S   LIG    1        1.532  -1.620   1.272  0.00  0.00    -0.002 S 
ATOM     15  O   LIG    1        1.569  -1.413   2.708  0.00  0.00    -0.169 OA
ATOM     16  O   LIG    1        1.466  -2.958   0.716  0.00  0.00    -0.169 OA
BRANCH  14  21
ATOM     17  C   LIG    1        6.421   1.095  -1.088  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        5.227   0.407  -0.492  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        4.705   0.834   0.737  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.580   0.213   1.282  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        2.963  -0.825   0.582  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1        3.470  -1.263  -0.643  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.596  -0.638  -1.181  0.00  0.00    +0.005 A 
ENDBRANCH  14  21
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5