REMARK  Name = BDB017000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.721   0.209   0.956  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.973  -0.168   0.556  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.681   1.012   0.423  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.871   2.083   0.750  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.706   1.568   1.066  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.073   1.142  -0.002  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.445   2.357  -0.482  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.715   2.520  -0.903  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.669   1.525  -0.851  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        6.279   0.294  -0.329  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.964   0.084   0.086  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.228  -0.833  -0.234  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.919  -1.981  -0.498  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.446  -0.466   0.214  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.501   0.444   0.563  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.398  -0.674   1.228  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.324  -0.811   0.011  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.432  -1.763   0.218  0.00  0.00    -0.297 NA
BRANCH  18  20
ATOM     19  C   LIG    1       -2.221  -3.092  -1.883  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -3.080  -2.147  -1.046  0.00  0.00    +0.081 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -3.413  -1.339   1.238  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.163  -0.047   0.978  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -3.720   1.165   1.536  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -4.410   2.354   1.294  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -5.549   2.337   0.499  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1       -6.211   3.478   0.269  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -6.014   1.151  -0.054  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -5.325  -0.039   0.187  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9