REMARK  Name = BDB031118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.047  -1.357   0.834  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        0.427  -2.585   1.043  0.00  0.00    +0.154 A 
ATOM      3  F   LIG    1       -0.764  -2.674   1.648  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        1.062  -3.739   0.621  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        2.300  -3.617   0.005  0.00  0.00    +0.166 A 
ATOM      6  F   LIG    1        2.933  -4.726  -0.408  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1        2.890  -2.356  -0.171  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1        2.264  -1.232   0.243  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -3.137   1.797   0.692  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -2.975   0.498  -0.014  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -1.799  -0.150   0.157  0.00  0.00    +0.103 A 
ATOM     12  N   LIG    1       -0.787   0.388   0.953  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -0.906   1.620   1.583  0.00  0.00    +0.142 A 
ATOM     14  N   LIG    1        0.193   1.956   2.222  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        1.054   0.914   2.015  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1        0.476  -0.091   1.261  0.00  0.00    +0.094 A 
ATOM     17  C   LIG    1       -2.137   2.313   1.441  0.00  0.00    +0.092 A 
BRANCH  10  18
ATOM     18  C   LIG    1       -4.110  -0.052  -0.896  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -3.942  -1.525  -1.309  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -4.276   0.785  -2.174  0.00  0.00    +0.046 C 
BRANCH  18  21
ATOM     21  O   LIG    1       -5.343  -0.020  -0.168  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -5.440   0.893   0.163  0.00  0.00    +0.211 HD
ENDBRANCH  18  21
ENDBRANCH  10  18
BRANCH   9  24
ATOM     23  C   LIG    1       -4.625   3.635   1.132  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -4.375   2.379   0.508  0.00  0.00    -0.495 OA
ENDBRANCH   9  24
ENDBRANCH   1  16
BRANCH   7  25
ATOM     25  N   LIG    1        4.109  -2.270  -0.850  0.00  0.00    -0.320 N 
ATOM     26  H   LIG    1        4.735  -3.009  -0.532  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.809  -0.983  -0.989  0.00  0.00    +0.121 C 
ATOM     28  C   LIG    1        5.105  -0.229   0.309  0.00  0.00    +0.201 C 
ATOM     29  F   LIG    1        6.422  -0.393   0.629  0.00  0.00    -0.242 F 
ATOM     30  C   LIG    1        4.825   1.238  -0.021  0.00  0.00    +0.119 C 
ATOM     31  N   LIG    1        4.704   1.326  -1.486  0.00  0.00    -0.311 NA
ATOM     32  H   LIG    1        4.095   2.101  -1.746  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        4.101   0.044  -1.878  0.00  0.00    +0.106 C 
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 6