REMARK  Name = BDB031116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.417  -0.408  -1.599  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -1.498  -0.035  -0.693  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.579  -0.951  -0.312  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.553  -2.253  -0.795  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.504  -2.620  -1.738  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.446  -1.683  -2.151  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.360  -0.470   0.683  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        1.740  -0.504   0.587  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        2.237   0.027   1.777  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        3.652   0.075   1.942  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1        4.464  -0.370   0.957  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.906  -0.886  -0.287  0.00  0.00    +0.064 A 
ATOM     13  N   LIG    1        1.270   0.425   2.575  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        2.573  -0.944  -0.445  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1        0.113   0.150   1.894  0.00  0.00    +0.141 A 
BRANCH  11  16
ATOM     16  O   LIG    1        5.845  -0.382   0.963  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        6.479  -0.019   2.204  0.00  0.00    +0.174 C 
ATOM     18  C   LIG    1        7.910   0.429   2.070  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        6.838   1.431   2.380  0.00  0.00    +0.048 C 
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  N   LIG    1       -3.328   0.585  -1.966  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -3.021   1.399  -1.427  0.00  0.00    +0.148 HD
BRANCH  20  24
ATOM     22  F   LIG    1       -6.749   0.661  -2.842  0.00  0.00    -0.242 F 
ATOM     23  C   LIG    1       -5.669   1.302  -2.303  0.00  0.00    +0.201 C 
ATOM     24  C   LIG    1       -4.737   0.256  -1.683  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.066   0.317  -0.174  0.00  0.00    +0.106 C 
ATOM     26  N   LIG    1       -6.249   1.180  -0.007  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -7.084   0.610  -0.168  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -6.145   2.136  -1.125  0.00  0.00    +0.119 C 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5