REMARK  Name = BDB042600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.723  -0.411   2.241  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.105   0.798   1.831  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.369   0.545   1.326  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.962  -0.788   1.183  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -3.494  -0.765   1.014  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -3.899   0.107  -0.098  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1       -3.050   1.283  -0.379  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -2.177   1.664   0.830  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1        0.333   1.943   1.951  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -5.107  -0.065  -0.759  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.348   0.513  -2.015  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1       -6.561   0.332  -2.679  0.00  0.00    +0.125 A 
ATOM     13  F   LIG    1       -6.745   0.899  -3.879  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.578  -0.428  -2.123  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.373  -1.016  -0.882  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -6.153  -0.836  -0.216  0.00  0.00    +0.023 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        2.170  -0.057   2.601  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1        6.165  -2.436  -0.036  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.834  -1.122  -0.690  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.815  -0.272  -0.208  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1        4.565   0.946  -0.875  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.496   1.846  -0.375  0.00  0.00    +0.257 A 
ATOM     23  N   LIG    1        2.810   1.416   0.736  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1        2.075   2.043   1.072  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.033   0.229   1.392  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1        3.242   2.908  -0.931  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        5.304   1.324  -1.998  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        6.300   0.480  -2.458  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        7.017   0.828  -3.534  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.995  -0.605   0.968  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        6.570  -0.728  -1.821  0.00  0.00    +0.042 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4