REMARK  Name = BDB049933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.548  -0.403  -1.012  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.335   0.042   0.024  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.054   0.753   0.686  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.495  -0.688   0.041  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.337  -1.592  -1.004  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.337  -2.545  -1.249  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.465  -2.574  -0.419  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.603  -1.658   0.627  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.625  -0.679   0.867  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        1.146  -1.387  -1.657  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.809   0.290   1.965  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.426   0.006   2.982  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        3.305   1.548   1.767  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.607   2.226   2.457  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.212   1.894   0.821  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -0.521   1.431  -2.245  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -0.809   0.229  -1.307  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -1.691  -0.772  -2.089  0.00  0.00    +0.036 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -1.440   0.673  -0.025  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1       -1.793  -0.423   0.901  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.296  -0.639   1.069  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.991   0.620   1.579  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.280   1.893   1.129  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -2.506   1.676  -0.171  0.00  0.00    +0.085 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3