REMARK  Name = BDB021745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.842   1.494  -0.343  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.032   1.010  -0.926  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.491  -0.135  -0.306  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.132  -0.263   0.629  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.595   1.581  -1.854  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.572  -0.948  -0.697  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.002  -1.925   0.213  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        5.062  -2.797  -0.098  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        5.696  -2.669  -1.340  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        5.261  -1.705  -2.241  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1        5.867  -1.604  -3.431  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        4.207  -0.849  -1.934  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1        5.534  -3.826   0.895  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        6.601  -3.395   1.620  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.923  -4.991   0.308  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        4.578  -4.170   1.804  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -2.728  -0.813   0.239  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -2.606   0.471   0.932  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -1.135   0.878   1.102  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.276   0.543  -0.124  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -1.151   0.379  -1.367  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -2.184  -0.731  -1.140  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.101  -1.407   0.229  0.00  0.00    +0.056 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.048  -3.289  -1.230  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.013  -2.907  -0.178  0.00  0.00    +0.015 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -4.848  -1.265   1.586  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -6.243  -1.880   1.618  0.00  0.00    +0.005 C 
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.496   2.875  -0.701  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.343   3.889   0.039  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        1.075   4.211   1.378  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        1.861   5.144   2.057  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.928   5.762   1.408  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.212   5.445   0.082  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        2.425   4.513  -0.598  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8