REMARK  Name = BDB001113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.098  -2.888  -0.875  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.338  -1.675  -0.491  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.814  -0.451  -0.003  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.295   0.339   0.192  0.00  0.00    +0.140 A 
ATOM      5  N   LIG    1       -0.248   1.640   0.664  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1       -1.069   2.210   0.801  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        0.976   2.217   0.968  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1        2.176   1.368   0.761  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        3.583   1.758   1.007  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        4.307   0.404   0.915  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1        3.372  -0.564   0.167  0.00  0.00    +0.036 C 
ATOM     12  O   LIG    1        1.068   3.366   1.385  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -1.379  -0.422  -0.173  0.00  0.00    -0.242 N 
ATOM     14  C   LIG    1        2.064   0.115   0.305  0.00  0.00    -0.027 A 
ATOM     15  N   LIG    1       -0.999  -1.660  -0.593  0.00  0.00    -0.174 NA
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1       -2.810  -0.066  -0.159  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -3.070   1.129  -1.097  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -3.260   0.274   1.275  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -3.699  -1.236  -0.652  0.00  0.00    +0.036 C 
ENDBRANCH  13  16
TORSDOF 1