REMARK  Name = BDB017044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.482  -0.235   0.174  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.306  -1.540  -0.245  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.004  -1.719  -0.281  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.334  -0.590   0.094  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        1.260   0.366   0.396  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.164   0.319   0.231  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.937  -0.306   0.021  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.784   0.391   0.355  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.807   1.651   0.860  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.011   2.239   1.023  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.209   1.621   0.725  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.411   0.256  -0.518  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.443  -0.350  -0.093  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.450  -1.672   0.175  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.668  -2.011   0.650  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.108  -0.443   0.176  0.00  0.00    +0.123 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.702   0.059  -1.142  0.00  0.00    +0.025 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.232   0.254  -1.145  0.00  0.00    -0.009 C 
ATOM     19  C   LIG    1       -3.717   1.273  -0.094  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -4.432   0.615   1.081  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -5.641  -0.205   0.630  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -5.458  -0.866  -0.737  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -3.987  -1.086  -1.069  0.00  0.00    +0.003 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6