REMARK  Name = BDB048281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.906  -1.527  -2.355  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        0.329  -1.431  -2.005  0.00  0.00    +0.166 C 
ATOM      3  S   LIG    1        1.054  -0.595  -0.655  0.00  0.00    -0.049 S 
ATOM      4  C   LIG    1        2.646  -1.082  -1.108  0.00  0.00    +0.078 C 
ATOM      5  C   LIG    1        3.807  -0.817  -0.494  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1        2.585  -1.918  -2.338  0.00  0.00    +0.256 C 
ATOM      7  O   LIG    1        3.546  -2.418  -2.901  0.00  0.00    -0.269 OA
ATOM      8  N   LIG    1        1.288  -2.042  -2.743  0.00  0.00    -0.260 N 
ATOM      9  H   LIG    1        1.044  -2.576  -3.561  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.903   0.373  -0.079  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -3.296   1.038  -1.152  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.303   0.406  -1.905  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -1.890  -0.890  -1.587  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -2.505  -1.561  -0.527  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.497  -0.932   0.229  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -4.357   1.819   1.919  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -4.961   1.059   0.747  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1        3.986  -0.024   0.727  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        4.577  -0.614   1.845  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        4.758   0.159   2.980  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.403   1.458   3.069  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        3.842   2.010   1.972  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        3.621   1.321   0.790  0.00  0.00    +0.027 A 
ENDBRANCH   5  18
TORSDOF 3