REMARK  Name = BDB016453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.409  -0.342   0.205  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        3.955  -0.696   1.415  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        2.930  -0.002   1.927  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.292   1.049   1.252  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.178   1.741   1.833  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        0.822   1.397   3.143  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        1.460   0.356   3.815  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        2.859   1.317   0.006  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        2.494  -0.339   3.195  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.894   0.645  -0.542  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.608  -1.602   0.413  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        5.524  -1.122  -0.361  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        5.517  -1.420  -1.743  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.523  -2.184  -2.338  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.567  -2.672  -1.566  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        7.611  -2.384  -0.204  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1        6.497   0.005   2.212  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        6.745  -1.295   1.891  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        5.952  -2.065   2.685  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        8.017  -1.521   2.348  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        0.577   2.816   1.153  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        0.657   2.716   0.146  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.767   3.291   1.482  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.808   2.500   0.725  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.196   2.889  -0.565  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.141   2.147  -1.278  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.716   0.995  -0.724  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -3.321   0.605   0.563  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -2.377   1.347   1.278  0.00  0.00    +0.005 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -4.739   0.203  -1.520  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -6.113   0.184  -0.828  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -7.136  -0.607  -1.641  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -6.646  -2.021  -1.941  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -5.283  -2.011  -2.625  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -4.251  -1.226  -1.816  0.00  0.00    +0.008 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6