REMARK  Name = BDB051428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.960  -1.191   0.073  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1        2.096  -2.216   0.837  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        3.350  -1.095   0.467  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.801  -0.015  -0.229  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        3.648   1.033  -0.641  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        5.010   0.968  -0.342  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        5.542  -0.114   0.353  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1        6.047   2.248  -0.843  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        4.720  -1.166   0.770  0.00  0.00    +0.018 A 
ATOM     10  N   LIG    1        1.436  -0.087  -0.453  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1       -0.741  -1.598  -0.026  0.00  0.00    -0.084 S 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.459   0.041  -0.416  0.00  0.00    +0.161 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.186   1.042   0.696  0.00  0.00    +0.318 C 
ATOM     14  O   LIG    1       -0.888   0.820   1.859  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -1.345   2.321   0.284  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -1.125   2.849   1.080  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1       -2.966  -0.055  -0.709  0.00  0.00    +0.025 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.311  -0.542   0.078  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -3.838  -0.528   0.461  0.00  0.00    -0.002 C 
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 6