REMARK  Name = BDB017024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.532   0.891  -0.062  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.589   0.125   0.338  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.668   0.595  -0.383  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.277   1.637  -1.200  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.991   1.791  -0.980  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.029   0.083  -0.305  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.270  -0.904   0.600  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.525  -1.394   0.678  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.576  -0.932  -0.090  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        6.306   0.094  -0.995  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.018   0.604  -1.125  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.373   0.635  -1.858  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.242   0.808  -3.055  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.493   0.937  -1.168  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.392   0.916  -0.197  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.833   0.779   0.410  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.641  -0.220  -0.416  0.00  0.00    +0.056 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -5.714  -0.448   1.015  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -4.719  -1.252   1.574  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -3.403  -1.188   1.109  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.064  -0.313   0.071  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1       -4.062   0.496  -0.485  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -5.380   0.428  -0.018  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -8.010   0.168   1.011  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -6.956  -0.612   1.563  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7