REMARK  Name = BDB036974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.114   0.022   1.000  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.957  -0.069   0.603  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -1.999  -0.707   1.352  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.296  -1.031   2.263  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -0.653  -0.822   1.083  0.00  0.00    +0.240 C 
ATOM      6  O   LIG    1        0.105  -1.331   1.905  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.213  -0.346  -0.306  0.00  0.00    +0.171 C 
ATOM      8  C   LIG    1       -1.055   0.850  -0.742  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -2.524   0.452  -0.748  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        1.219  -0.096  -0.295  0.00  0.00    -0.223 N 
ATOM     11  C   LIG    1        2.138  -1.012  -0.692  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        1.956  -2.094  -1.218  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        3.462  -0.466  -0.380  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1        3.281   0.707   0.228  0.00  0.00    +0.073 C 
ATOM     15  C   LIG    1        1.836   0.939   0.326  0.00  0.00    +0.247 C 
ATOM     16  O   LIG    1        1.342   1.896   0.892  0.00  0.00    -0.270 OA
ENDBRANCH   7  10
TORSDOF 1