REMARK  Name = BDB019148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.140  -0.775  -0.225  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.813   0.218  -1.186  0.00  0.00    +0.083 A 
ATOM      3  N   LIG    1       -0.488   0.302  -1.563  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.412   1.264  -2.535  0.00  0.00    +0.207 A 
ATOM      5  N   LIG    1       -1.575   1.842  -2.751  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1        0.517  -0.515  -1.014  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.202  -1.439  -0.143  0.00  0.00    -0.223 NA
ATOM      8  CA  LIG    1       -2.467   1.192  -1.914  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -1.125  -1.546   0.224  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.201   0.573   2.229  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.007  -0.418   1.438  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.494  -1.039   0.291  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -4.318  -1.943  -0.391  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.602  -2.200   0.076  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.024  -1.542   1.217  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.260  -0.664   1.902  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        1.836  -0.369  -1.381  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.352  -1.166  -1.010  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.542   0.873  -1.072  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.920   0.586  -0.551  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.143   0.057   0.718  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.180  -0.374   1.762  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        4.143  -0.532   2.938  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        5.478  -0.746   2.426  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.431  -0.217   1.163  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.545   0.011   0.382  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        6.348   0.548  -0.890  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        5.051   0.829  -1.342  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        4.902   1.342  -2.572  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  30
ATOM     30  C   LIG    1       -3.907   1.585  -1.923  0.00  0.00    +0.213 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -4.147   2.676  -2.814  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -3.279   2.845  -3.236  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH   8  30
TORSDOF 6