REMARK  Name = BDB013194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.908  -0.014  -0.153  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.060   0.842   0.597  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.708   0.631   0.491  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.134   1.512   1.358  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.061   2.261   1.913  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.149  -0.341  -0.344  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.930  -1.134  -1.029  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.281   1.839   1.430  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.295  -0.955  -0.906  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        5.147  -0.255   1.008  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        4.383   0.038  -0.132  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        5.070   0.409  -1.298  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        6.459   0.476  -1.302  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        7.129   0.171  -0.133  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        6.511  -0.190   1.011  0.00  0.00    -0.257 NA
BRANCH  10  17
ATOM     16  F   LIG    1        3.556  -1.625   2.187  0.00  0.00    -0.242 F 
ATOM     17  C   LIG    1        4.509  -0.654   2.316  0.00  0.00    +0.269 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.217  -0.494  -0.444  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.381  -1.375  -0.934  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.004   0.537  -1.121  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.441   0.109  -1.216  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.230  -0.144  -0.097  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.883  -0.134   1.345  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.288  -0.208   1.942  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.187  -0.775   0.963  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.554  -0.546  -0.231  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.154  -0.714  -1.462  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.390  -0.450  -2.597  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.055  -0.042  -2.467  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.353   0.200  -3.583  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5