REMARK  Name = BDB031280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.984  -0.220  -0.001  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -1.847   0.860   0.251  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -3.199   0.627   0.144  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -3.713  -0.619  -0.201  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1       -5.100  -0.521  -0.223  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1       -5.760  -1.250  -0.436  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -5.463   0.791   0.111  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1       -6.594   1.237   0.190  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1       -2.902  -1.694  -0.458  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1       -4.270   1.494   0.336  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1       -4.236   2.466   0.594  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -1.519  -1.482  -0.355  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1        1.336  -2.087  -0.151  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.436  -0.876  -0.006  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1        0.401   0.036   0.107  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        0.654   0.980   0.367  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        2.800  -0.287   0.109  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.796  -1.029   0.757  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        5.084  -0.508   0.885  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.385   0.747   0.358  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.402   1.482  -0.306  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.110   0.966  -0.436  0.00  0.00    +0.013 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2