REMARK  Name = BDB001095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400  -1.662  -2.005  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.649  -0.745  -1.831  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.977  -1.187  -1.816  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.263  -2.534  -2.011  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        3.526  -2.986  -1.992  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.232  -3.453  -2.194  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.096  -3.021  -2.183  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.084  -0.230  -1.630  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.114   0.543  -0.474  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        2.223   0.373   0.683  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.876   0.837   1.997  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        3.374   2.224   1.989  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        2.631   2.847   2.306  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        3.795   2.657   0.643  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        4.192   1.519  -0.313  0.00  0.00    +0.123 C 
ATOM     16  O   LIG    1        3.919  -0.138  -2.526  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -1.831  -1.189  -1.933  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.146  -1.042  -0.549  0.00  0.00    -0.484 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -3.212   0.329   1.059  0.00  0.00    +0.084 A 
ATOM     20  C   LIG    1       -3.202  -0.234  -0.229  0.00  0.00    +0.168 A 
ATOM     21  C   LIG    1       -4.300   0.007  -1.062  0.00  0.00    +0.168 A 
ATOM     22  F   LIG    1       -4.372  -0.537  -2.286  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -5.370   0.795  -0.646  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1       -5.351   1.346   0.625  0.00  0.00    +0.127 A 
ATOM     25  F   LIG    1       -6.376   2.105   1.031  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -4.285   1.123   1.486  0.00  0.00    +0.055 A 
BRANCH  19  30
ATOM     27  N   LIG    1       -2.387  -0.252   3.254  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -3.298  -0.616   3.495  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -1.612  -0.489   3.861  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -2.069   0.141   1.983  0.00  0.00    +0.245 C 
ATOM     31  O   LIG    1       -0.911   0.341   1.644  0.00  0.00    -0.270 OA
ENDBRANCH  19  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5