REMARK  Name = BDB054968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.819   0.013  -0.602  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.292  -0.370  -0.793  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -2.788  -1.262   0.176  0.00  0.00    -0.189 N 
ATOM      4  H   LIG    1       -2.218  -1.554   0.966  0.00  0.00    +0.176 HD
ATOM      5  O   LIG    1       -3.010   0.080  -1.674  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  S   LIG    1       -4.241  -2.048   0.086  0.00  0.00    +0.042 S 
ATOM      7  O   LIG    1       -4.310  -2.833   1.301  0.00  0.00    -0.155 OA
ATOM      8  O   LIG    1       -4.350  -2.680  -1.208  0.00  0.00    -0.155 OA
ATOM      9  C   LIG    1       -5.433  -0.730   0.223  0.00  0.00    +0.218 C 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  11
ATOM     10  C   LIG    1       -0.571   1.742  -2.544  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -0.084   0.440  -1.898  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -0.093  -0.693  -2.933  0.00  0.00    +0.009 C 
ENDBRANCH   1  11
BRANCH   1  13
ATOM     13  S   LIG    1       -0.775   1.290   0.725  0.00  0.00    -0.086 S 
BRANCH  13  14
ATOM     14  C   LIG    1        0.881   1.148   1.270  0.00  0.00    +0.136 A 
ATOM     15  S   LIG    1        1.651   2.382   2.167  0.00  0.00    -0.061 S 
ATOM     16  C   LIG    1        3.085   1.431   2.238  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        2.862   0.225   1.569  0.00  0.00    +0.081 A 
ATOM     18  C   LIG    1        3.904  -0.720   1.499  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        5.131  -0.429   2.099  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        5.338   0.777   2.761  0.00  0.00    +0.021 A 
ATOM     21 CL   LIG    1        6.406  -1.583   2.017  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        4.318   1.730   2.842  0.00  0.00    +0.018 A 
ATOM     23  N   LIG    1        1.596   0.076   1.025  0.00  0.00    -0.233 NA
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5