REMARK  Name = BDB051439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.239   1.030   0.501  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1       -1.037   1.990   1.111  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1       -2.066   0.609   1.124  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.345  -0.496   0.662  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -1.988  -1.748   0.587  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -3.325  -1.852   0.974  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -4.029  -0.743   1.432  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1       -4.115  -3.380   0.884  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.411   0.509   1.515  0.00  0.00    +0.018 A 
ATOM     10  N   LIG    1       -0.029  -0.240   0.315  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1        1.824   1.694   0.166  0.00  0.00    -0.084 S 
BRANCH  11  13
ATOM     12  C   LIG    1        1.967   0.468  -2.299  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1        2.548   0.378  -0.891  0.00  0.00    +0.158 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.069   0.510  -0.939  0.00  0.00    +0.318 C 
ATOM     15  O   LIG    1        4.761   0.114  -1.868  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.632   1.045   0.172  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        3.956   1.346   0.813  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4