REMARK  Name = BDB007768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.926   0.505   0.993  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.796  -0.130   0.404  0.00  0.00    +0.260 C 
ATOM      3  N   LIG    1       -1.490  -1.145  -0.482  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -2.152  -1.310  -1.227  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.210   0.139   0.546  0.00  0.00    +0.103 A 
ATOM      6  N   LIG    1       -4.232  -0.722   0.211  0.00  0.00    -0.350 N 
ATOM      7  H   LIG    1       -4.099  -1.656  -0.150  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -5.460  -0.160   0.476  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -5.221   1.100   1.024  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -6.325   1.888   1.394  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1       -7.622   1.408   1.210  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -7.831   0.144   0.661  0.00  0.00    +0.005 A 
ATOM     13  F   LIG    1       -6.146   3.106   1.925  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.752  -0.666   0.284  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.811   1.269   1.076  0.00  0.00    +0.043 A 
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -0.102  -1.394  -0.849  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.392  -0.375  -1.885  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.473  -0.475  -3.036  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.229   0.254  -3.634  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        1.852  -0.613  -2.337  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.926  -0.505  -1.355  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        2.870   0.661  -0.476  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.152   0.798   0.313  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.702  -0.360   0.887  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        5.858  -0.274   1.668  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.473   0.963   1.863  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.930   2.115   1.292  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.965  -1.656   0.685  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        4.768   2.036   0.524  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.314  -1.763  -0.711  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6