REMARK  Name = BDB034960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.876   2.148   0.337  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.329   0.775   0.067  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.958   0.534   0.164  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -0.534  -0.785  -0.105  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.826  -1.041  -0.013  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.741  -0.039   0.327  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        1.216   1.219   0.576  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1       -1.368  -1.787  -0.443  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -2.678  -1.529  -0.529  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.101   1.524   0.499  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.197  -0.268  -0.282  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        3.179  -0.311   0.417  0.00  0.00    +0.082 A 
ATOM     13  N   LIG    1        3.607  -1.560   0.632  0.00  0.00    -0.210 NA
ATOM     14  S   LIG    1        5.258  -1.595   0.693  0.00  0.00    +0.004 S 
ATOM     15  C   LIG    1        5.480   0.073   0.424  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1        4.239   0.660   0.287  0.00  0.00    +0.037 A 
ENDBRANCH   6  12
BRANCH   9  17
ATOM     17  N   LIG    1       -3.527  -2.582  -0.878  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -4.034  -2.352  -1.726  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -4.201  -2.741  -0.136  0.00  0.00    +0.144 HD
ENDBRANCH   9  17
TORSDOF 2