REMARK  Name = BDB003431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.960  -1.057  -0.821  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -4.579  -0.722  -0.537  0.00  0.00    -0.262 N 
ATOM      3  C   LIG    1       -4.365   0.293   0.420  0.00  0.00    +0.333 A 
ATOM      4  O   LIG    1       -5.315   0.853   0.975  0.00  0.00    -0.246 OA
ATOM      5  N   LIG    1       -3.039   0.631   0.708  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -2.736   1.665   1.681  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1       -2.023  -0.027   0.059  0.00  0.00    +0.169 A 
ATOM      8  C   LIG    1       -2.277  -0.999  -0.857  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.053  -1.421  -1.287  0.00  0.00    -0.327 N 
ATOM     10  H   LIG    1       -0.859  -2.138  -1.972  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1       -0.129  -0.678  -0.605  0.00  0.00    +0.169 A 
ATOM     12  N   LIG    1       -0.685   0.180   0.223  0.00  0.00    -0.204 NA
ATOM     13  C   LIG    1       -3.580  -1.419  -1.222  0.00  0.00    +0.282 A 
ATOM     14  O   LIG    1       -3.775  -2.299  -2.053  0.00  0.00    -0.265 OA
ENDROOT
BRANCH  11  15
ATOM     15  S   LIG    1        1.550  -0.931  -0.886  0.00  0.00    -0.083 S 
BRANCH  15  16
ATOM     16  C   LIG    1        2.258   0.293   0.257  0.00  0.00    +0.112 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.767   0.280   0.207  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1        4.457   1.097  -0.704  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        5.851   1.073  -0.758  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        6.556   0.231   0.093  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1        7.895   0.209   0.039  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.894  -0.591   0.996  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        4.500  -0.570   1.053  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
TORSDOF 3