REMARK  Name = BDB020216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.228   2.761   0.866  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.617   1.527   0.434  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.273   0.381   0.064  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.266  -0.527  -0.250  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.620  -1.827  -0.658  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -2.975  -2.168  -0.744  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.965  -1.238  -0.431  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.049   0.186  -0.049  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -3.635   0.057  -0.019  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.275   1.444   0.357  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.349  -0.318  -0.265  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        1.866  -1.027   0.984  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1        1.182  -1.771   1.685  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        3.211  -0.898   1.252  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        3.540  -1.410   2.059  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        4.187  -0.446   0.402  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.375  -0.643   0.638  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.716   0.208  -0.872  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        2.322   0.786  -0.699  0.00  0.00    +0.028 C 
ENDBRANCH   8  11
TORSDOF 1