REMARK  Name = BDB036968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.998   0.333  -0.313  0.00  0.00    +0.164 C 
ATOM      2  C   LIG    1       -1.373   0.945   1.048  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.698   1.799   1.622  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -2.598   0.576   1.557  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -2.856   1.006   2.434  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -3.562  -0.195   0.958  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -4.677  -0.313   1.458  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.212  -0.801  -0.381  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1       -1.712  -1.004  -0.519  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.738  -0.960   0.449  0.00  0.00    +0.133 C 
ATOM     11  N   LIG    1        2.585  -0.192   0.052  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1        1.268  -0.609   0.243  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1        0.899  -1.549   0.926  0.00  0.00    -0.252 OA
ATOM     14  N   LIG    1        0.447   0.254  -0.494  0.00  0.00    -0.272 N 
ATOM     15  C   LIG    1        1.223   1.380  -0.974  0.00  0.00    +0.129 C 
ATOM     16  C   LIG    1        2.655   0.867  -0.926  0.00  0.00    +0.128 C 
ENDBRANCH   1  14
TORSDOF 1