REMARK  Name = BDB059013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102  -2.248  -0.888  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.817  -3.407  -1.123  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1       -0.218  -4.547  -1.495  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -2.174  -3.337  -0.974  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -2.817  -2.209  -0.617  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.073  -1.109  -0.399  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1       -0.731  -1.111  -0.524  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -2.720   0.084  -0.074  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -4.016  -0.104   0.596  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1       -4.716   1.254   0.824  0.00  0.00    +0.100 C 
ATOM     11  N   LIG    1       -3.876   2.241   1.527  0.00  0.00    -0.313 NA
ATOM     12  H   LIG    1       -4.368   3.133   1.555  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -2.616   2.412   0.779  0.00  0.00    +0.100 C 
ATOM     14  C   LIG    1       -1.850   1.090   0.554  0.00  0.00    +0.123 C 
ENDBRANCH   6   8
BRANCH   1  15
ATOM     15  N   LIG    1        1.312  -2.304  -1.005  0.00  0.00    -0.297 N 
ATOM     16  H   LIG    1        1.569  -2.881  -1.800  0.00  0.00    +0.154 HD
BRANCH  15  21
ATOM     17  C   LIG    1        4.322   0.536  -0.035  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1        4.538  -0.464  -0.993  0.00  0.00    +0.084 A 
ATOM     19 CL   LIG    1        6.050  -0.604  -1.824  0.00  0.00    -0.080 Cl
ATOM     20  C   LIG    1        3.534  -1.388  -1.308  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.278  -1.328  -0.690  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.082  -0.347   0.286  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.084   0.581   0.607  0.00  0.00    +0.049 A 
BRANCH  17  25
ATOM     24  C   LIG    1        5.149   2.426   1.169  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.359   1.398   0.210  0.00  0.00    -0.494 OA
ENDBRANCH  17  25
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 4