REMARK  Name = BDB016991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.008  -0.308   0.946  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        0.878   0.403   0.189  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.103  -0.192   0.409  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.969  -1.241   1.297  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.692  -1.278   1.605  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.365   0.215  -0.195  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.329   1.272  -1.048  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.492   1.657  -1.614  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.704   1.039  -1.373  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.721  -0.043  -0.495  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.535  -0.466   0.106  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.969  -0.770  -0.174  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.073  -1.719   0.580  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.040  -0.270  -0.816  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.778  -0.839  -0.512  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.430  -0.047   1.069  0.00  0.00    +0.141 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.260  -2.083  -0.203  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -2.254  -0.547  -0.141  0.00  0.00    +0.073 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.649  -0.076  -0.202  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1       -3.799   1.327  -0.583  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -5.271   1.613  -0.310  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -5.725   0.517   0.648  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -4.460  -0.249   1.000  0.00  0.00    +0.085 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6