REMARK  Name = BDB003876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.458   0.326  -0.167  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.611   0.810   0.718  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.933   0.259   0.110  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.318  -1.049   0.818  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.731  -1.478   1.811  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.398  -1.766   0.367  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.495  -2.530   1.031  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.637  -1.197   0.223  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.568  -1.506   0.960  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.791  -0.217  -0.908  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.279   1.178  -0.604  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.061   1.288   0.313  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.537   0.017  -1.353  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.084  -0.444  -1.274  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  20
ATOM     15  C   LIG    1        5.062  -1.274  -1.007  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        4.118  -0.452  -0.175  0.00  0.00    -0.019 A 
ATOM     17  C   LIG    1        4.521   0.285   0.947  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1        3.603   1.045   1.676  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        2.257   1.052   1.296  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        1.787   0.308   0.201  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.749  -0.430  -0.517  0.00  0.00    +0.028 A 
BRANCH  17  22
ATOM     22  N   LIG    1        5.910   0.297   1.394  0.00  0.00    +0.057 N 
ATOM     23  O   LIG    1        6.495  -0.791   1.488  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        6.406   1.399   1.667  0.00  0.00    -0.126 OA
ENDBRANCH  17  22
ENDBRANCH   1  20
TORSDOF 2