REMARK  Name = BDB001789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.689   0.121  -0.603  0.00  0.00    -0.256 NA
ATOM      2  C   LIG    1       -1.502  -0.571   0.458  0.00  0.00    +0.137 A 
ATOM      3  N   LIG    1       -0.293  -0.411   1.157  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1        0.625   0.575   0.742  0.00  0.00    +0.324 C 
ATOM      5  N   LIG    1        1.859   0.020   0.408  0.00  0.00    -0.267 N 
ATOM      6  H   LIG    1        1.834  -0.978   0.256  0.00  0.00    +0.157 HD
ATOM      7  O   LIG    1        0.371   1.776   0.782  0.00  0.00    -0.249 OA
ATOM      8  C   LIG    1        0.040  -1.215   2.244  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1       -0.790  -2.153   2.711  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -2.073  -2.332   2.096  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -2.435  -1.591   1.042  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.046   0.693   0.063  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        4.119  -0.090  -0.380  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        5.346   0.494  -0.744  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        5.492   1.883  -0.639  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.430   2.667  -0.194  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.213   2.075   0.156  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  C   LIG    1        6.495  -0.369  -1.200  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        7.241  -0.827  -0.157  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.362   0.278  -2.027  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.089  -1.477  -1.881  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  C   LIG    1       -2.949  -1.189  -2.267  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -2.877   0.101  -1.457  0.00  0.00    +0.170 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.126   0.467  -0.720  0.00  0.00    +0.129 A 
ATOM     25  O   LIG    1       -5.211  -0.354  -0.846  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1       -6.208   0.186  -0.100  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -5.782   1.341   0.511  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -4.439   1.526   0.111  0.00  0.00    +0.047 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 4