REMARK  Name = BDB002102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172  -0.118   1.626  0.00  0.00    +0.129 C 
ATOM      2  C   LIG    1        1.309   0.513   1.971  0.00  0.00    +0.116 C 
ATOM      3 CL   LIG    1        2.483  -0.210   3.030  0.00  0.00    -0.073 Cl
ATOM      4 CL   LIG    1       -0.152  -1.751   2.175  0.00  0.00    -0.076 Cl
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1       -2.139  -0.118   0.897  0.00  0.00    -0.279 N 
ATOM      6  H   LIG    1       -2.184  -0.909   1.532  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1       -0.907   0.493   0.765  0.00  0.00    +0.262 C 
ATOM      8  O   LIG    1       -0.665   1.439   0.025  0.00  0.00    -0.269 OA
BRANCH   5  12
ATOM      9  C   LIG    1       -5.796   0.674  -0.923  0.00  0.00    +0.214 A 
ATOM     10  N   LIG    1       -5.698  -0.353  -0.054  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -4.480  -0.554   0.502  0.00  0.00    +0.138 A 
ATOM     12  C   LIG    1       -3.343   0.214   0.239  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.491   1.263  -0.664  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -4.734   1.498  -1.254  0.00  0.00    +0.069 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -8.045   0.066  -1.142  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1       -7.001   0.951  -1.536  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  S   LIG    1        1.692   2.191   1.500  0.00  0.00    +0.006 S 
ATOM     18  O   LIG    1        2.865   2.775   2.519  0.00  0.00    -0.156 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.432   1.907  -0.143  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.452   0.802  -0.231  0.00  0.00    -0.036 A 
ATOM     21  C   LIG    1        3.161  -0.378  -0.931  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.101  -1.409  -1.005  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        5.352  -1.275  -0.395  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1        6.346  -2.397  -0.441  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.641  -0.101   0.309  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.704   0.931   0.383  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 6