REMARK  Name = BDB001616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.295   1.757  -0.748  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.520   0.642  -0.274  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1       -0.589  -0.118   0.139  0.00  0.00    -0.176 N 
ATOM      4  C   LIG    1       -1.942   0.163   0.021  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1       -2.556  -0.928   0.626  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -3.955  -0.993   0.690  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -4.702   0.055   0.138  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.068   1.143  -0.465  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -1.609  -1.799   1.080  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1       -2.672   1.222  -0.538  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -0.417  -1.298   0.792  0.00  0.00    -0.057 NA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1        1.943   0.214  -0.168  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        2.344  -1.116  -0.340  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.696  -1.456  -0.250  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.653  -0.473  -0.001  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.263   0.856   0.151  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.913   1.201   0.062  0.00  0.00    +0.013 A 
ENDBRANCH   2  12
TORSDOF 1