REMARK  Name = BDB003873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.570  -1.291   0.008  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.691  -0.794   0.598  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.680  -0.627  -0.570  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -1.517   0.751  -1.222  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.240   0.905  -2.410  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -1.665   1.836  -0.398  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -1.138   2.612  -0.786  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -2.899   2.364  -0.147  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -3.062   3.582  -0.239  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.066   1.447   0.131  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.719   0.134   0.815  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.136  -0.886  -0.161  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.196  -1.738  -1.518  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.324  -1.665  -1.399  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        3.260  -2.385   0.001  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1        2.973  -0.912   0.080  0.00  0.00    -0.008 A 
ATOM     17  C   LIG    1        1.659  -0.406   0.101  0.00  0.00    +0.124 A 
ATOM     18  N   LIG    1        1.415   0.926   0.182  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1        2.469   1.778   0.228  0.00  0.00    +0.145 A 
ATOM     20  C   LIG    1        3.783   1.357   0.192  0.00  0.00    +0.145 A 
ATOM     21  C   LIG    1        4.047  -0.008   0.113  0.00  0.00    +0.041 A 
BRANCH  20  22
ATOM     22  N   LIG    1        4.862   2.332   0.238  0.00  0.00    +0.058 N 
ATOM     23  O   LIG    1        6.024   1.907   0.190  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        4.553   3.529   0.325  0.00  0.00    -0.126 OA
ENDBRANCH  20  22
ENDBRANCH   1  17
TORSDOF 2