REMARK  Name = BDB014365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.634  -0.462  -0.262  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.317  -0.057  -0.549  0.00  0.00    +0.103 A 
ATOM      3  C   LIG    1       -3.120   0.895  -1.547  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1       -1.759   1.066  -1.586  0.00  0.00    -0.326 N 
ATOM      5  H   LIG    1       -1.251   1.655  -2.224  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.185   0.250  -0.645  0.00  0.00    +0.197 A 
ATOM      7  C   LIG    1       -4.156   1.470  -2.287  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.457   1.053  -1.986  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.104  -0.461  -0.036  0.00  0.00    -0.214 NA
ATOM     10  C   LIG    1       -5.698   0.103  -0.991  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  N   LIG    1        0.166   0.197  -0.487  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        0.894   1.476  -0.327  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        2.421   1.270  -0.422  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        2.883   0.234   0.515  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1        2.141  -1.038   0.430  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        0.618  -0.810   0.511  0.00  0.00    +0.127 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.269   0.078   0.547  0.00  0.00    +0.218 A 
ATOM     18  N   LIG    1        4.784  -1.086   0.991  0.00  0.00    -0.220 NA
ATOM     19  C   LIG    1        6.129  -1.201   1.051  0.00  0.00    +0.154 A 
ATOM     20  C   LIG    1        6.984  -0.200   0.683  0.00  0.00    +0.160 A 
ATOM     21  F   LIG    1        8.312  -0.335   0.749  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1        6.389   0.950   0.243  0.00  0.00    +0.154 A 
ATOM     23  N   LIG    1        5.050   1.110   0.166  0.00  0.00    -0.220 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -5.793  -2.443   0.474  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -6.005  -2.655  -0.490  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.858  -3.198   1.145  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.901  -1.453   0.797  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -4.386  -1.407   1.903  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3