REMARK  Name = BDB049465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.855   0.645   0.122  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.475   0.813   0.315  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.630   0.600  -0.758  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        1.228   0.691  -0.840  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        0.836   0.401  -2.233  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1        2.114   0.043  -3.033  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        2.081  -1.411  -3.513  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1        2.323   0.998  -4.210  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        0.383   1.011   0.213  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        0.783   1.226   1.360  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.181   0.235  -1.979  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1        4.497   0.058  -2.212  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1        5.305   0.275  -1.148  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        5.836   0.844   1.250  0.00  0.00    +0.275 C 
ATOM     15  F   LIG    1        7.089   1.111   0.781  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1        5.504   1.914   2.027  0.00  0.00    -0.200 F 
BRANCH  14  17
ATOM     17  C   LIG    1        5.902  -0.402   2.143  0.00  0.00    +0.080 C 
BRANCH  17  19
ATOM     18  C   LIG    1        8.243  -0.050   3.128  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        6.760  -0.235   3.402  0.00  0.00    +0.003 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1       -1.127   1.083  -0.107  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.899   0.205   0.777  0.00  0.00    -0.287 NA
ATOM     22  C   LIG    1       -3.336   0.517   0.902  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1       -3.940  -0.466   1.936  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.913  -1.887   1.554  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -3.891  -2.441   2.411  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.756  -2.218   0.703  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -2.273  -3.638   1.010  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -1.559  -1.220   0.734  0.00  0.00    +0.103 C 
BRANCH  22  29
ATOM     29  C   LIG    1       -4.114   0.563  -0.443  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.511   0.954  -0.341  0.00  0.00    -0.300 N 
ATOM     31  C   LIG    1       -5.929   2.232  -0.005  0.00  0.00    +0.216 C 
ATOM     32  O   LIG    1       -5.218   3.210   0.154  0.00  0.00    -0.276 OA
ATOM     33  C   LIG    1       -7.425   2.190   0.191  0.00  0.00    +0.097 C 
ATOM     34  C   LIG    1       -7.821   0.873  -0.468  0.00  0.00    +0.028 C 
ATOM     35  C   LIG    1       -6.591   0.000  -0.304  0.00  0.00    +0.108 C 
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 7