REMARK  Name = BDB002161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.026  -1.002   0.172  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        4.098   1.248   0.095  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1        3.314  -0.035   0.094  0.00  0.00    +0.211 C 
ATOM      4  N   LIG    1        1.954   0.129   0.156  0.00  0.00    -0.300 N 
ATOM      5  H   LIG    1        1.565   1.062   0.240  0.00  0.00    +0.150 HD
ATOM      6  O   LIG    1        3.854  -1.134   0.060  0.00  0.00    -0.276 OA
ENDBRANCH   1   4
BRANCH   1   7
ATOM      7  C   LIG    1        0.477  -1.445  -1.239  0.00  0.00    +0.218 C 
ATOM      8 CL   LIG    1        1.802  -2.094  -2.284  0.00  0.00    -0.080 Cl
ATOM      9 CL   LIG    1       -0.256  -0.083  -2.160  0.00  0.00    -0.080 Cl
ATOM     10 CL   LIG    1       -0.747  -2.762  -1.105  0.00  0.00    -0.080 Cl
ENDBRANCH   1   7
BRANCH   1  11
ATOM     11  S   LIG    1       -0.187  -0.696   1.535  0.00  0.00    -0.076 S 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.179   0.615   0.905  0.00  0.00    +0.111 C 
ATOM     13  S   LIG    1       -0.561   2.185   0.936  0.00  0.00    -0.028 S 
BRANCH  12  14
ATOM     14  N   LIG    1       -2.454   0.263   0.442  0.00  0.00    -0.325 N 
ATOM     15  C   LIG    1       -3.299   1.228  -0.264  0.00  0.00    +0.130 C 
ATOM     16  C   LIG    1       -3.174  -0.950   0.844  0.00  0.00    +0.130 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 5