REMARK  Name = BDB008415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.913   0.000   0.226  0.00  0.00    +0.003 C 
ATOM      2  C   LIG    1        1.139   1.315   0.534  0.00  0.00    +0.058 C 
ATOM      3  C   LIG    1       -0.321   1.038   0.571  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -0.962  -0.028  -0.019  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.246  -1.011  -0.773  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -0.767  -2.053  -1.337  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -2.071  -2.443  -1.329  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -2.215  -3.309  -1.844  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -3.267  -1.967  -0.832  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1       -3.419  -0.733  -0.044  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.689  -0.337   0.417  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -4.854   0.824   1.175  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.760   1.629   1.503  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.504   1.225   1.039  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -4.285  -2.629  -1.065  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.325   0.068   0.275  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1       -1.262   1.802   1.204  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1       -1.086   2.652   1.722  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1        1.254  -0.764  -0.958  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        4.214  -1.010  -0.301  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        3.424   0.277  -0.033  0.00  0.00    -0.013 C 
ATOM     22  C   LIG    1        4.084   1.020   1.136  0.00  0.00    +0.007 C 
ENDBRANCH   1  21
TORSDOF 1