REMARK  Name = BDB033474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.980  -1.194  -0.438  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.180  -0.068   0.368  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.711  -0.152   1.658  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -1.787   1.176   2.163  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -1.310   2.027   1.195  0.00  0.00    +0.103 A 
ATOM      6 CL   LIG    1       -2.362   1.622   3.699  0.00  0.00    -0.081 Cl
ATOM      7  C   LIG    1       -2.039  -1.426   2.170  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -1.825  -2.563   1.383  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.951   1.268   0.115  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -0.522   1.615  -0.738  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.299  -2.447   0.098  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.416  -1.093  -1.747  0.00  0.00    -0.212 N 
ATOM     13  H   LIG    1       -0.793  -1.779  -2.402  0.00  0.00    +0.174 HD
BRANCH  12  15
ATOM     14  O   LIG    1        1.746  -2.173  -0.864  0.00  0.00    -0.148 OA
ATOM     15  S   LIG    1        1.288  -1.207  -1.842  0.00  0.00    +0.096 S 
ATOM     16  O   LIG    1        1.583  -1.383  -3.251  0.00  0.00    -0.148 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.010   0.364  -1.411  0.00  0.00    +0.236 A 
ATOM     18  S   LIG    1        3.670   0.380  -0.997  0.00  0.00    -0.055 S 
ATOM     19  C   LIG    1        3.583   2.081  -0.796  0.00  0.00    +0.068 A 
ATOM     20  C   LIG    1        2.304   2.519  -1.069  0.00  0.00    +0.120 A 
ATOM     21  N   LIG    1        1.395   1.538  -1.423  0.00  0.00    -0.229 NA
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3