REMARK  Name = BDB020914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.805   4.280  -0.949  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.068   2.875  -0.676  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -3.379   2.418  -0.672  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.370   3.111  -0.885  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.554   0.975  -0.386  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.499   0.176  -0.142  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.133   0.723  -0.154  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -0.992   2.038  -0.421  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.833  -1.239   0.115  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.122  -1.673   1.415  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.454  -3.008   1.653  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.499  -3.915   0.595  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.210  -3.491  -0.701  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.877  -2.157  -0.942  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1        0.075  -0.027   0.099  0.00  0.00    +0.230 A 
ATOM     16  O   LIG    1        1.344   0.528  -0.039  0.00  0.00    -0.435 OA
ATOM     17  C   LIG    1        2.233  -0.460   0.278  0.00  0.00    +0.156 A 
ATOM     18  C   LIG    1        1.494  -1.571   0.596  0.00  0.00    +0.161 A 
ATOM     19  N   LIG    1        0.157  -1.295   0.484  0.00  0.00    -0.217 NA
BRANCH  17  20
ATOM     20  C   LIG    1        3.651  -0.132   0.210  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        4.620  -1.092   0.540  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        5.984  -0.786   0.478  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.397   0.484   0.086  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.449   1.449  -0.245  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.087   1.143  -0.183  0.00  0.00    +0.011 A 
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 3