REMARK  Name = BDB054970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836   1.364   0.304  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.976   2.211   0.881  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -2.188   2.310   2.268  0.00  0.00    -0.189 N 
ATOM      4  H   LIG    1       -3.059   2.773   2.520  0.00  0.00    +0.176 HD
ATOM      5  O   LIG    1       -2.780   2.802   0.167  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  S   LIG    1       -1.195   2.037   3.556  0.00  0.00    +0.042 S 
ATOM      7  O   LIG    1       -2.067   1.874   4.698  0.00  0.00    -0.155 OA
ATOM      8  O   LIG    1       -0.209   1.040   3.220  0.00  0.00    -0.155 OA
ATOM      9  C   LIG    1       -0.375   3.607   3.735  0.00  0.00    +0.218 C 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   LIG    1       -1.281   0.803  -1.067  0.00  0.00    +0.024 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -0.330  -0.236  -1.669  0.00  0.00    +0.002 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -0.815  -0.798  -3.010  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.066  -1.672  -2.891  0.00  0.00    -0.000 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -3.679  -3.162  -4.128  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -2.436  -2.294  -4.238  0.00  0.00    -0.003 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.621   2.466   0.136  0.00  0.00    -0.086 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.890   1.433   0.757  0.00  0.00    +0.136 A 
ATOM     18  S   LIG    1        3.247   2.064   1.584  0.00  0.00    -0.061 S 
ATOM     19  C   LIG    1        3.858   0.467   1.790  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.974  -0.436   1.192  0.00  0.00    +0.081 A 
ATOM     21  C   LIG    1        3.272  -1.812   1.234  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.438  -2.239   1.871  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        5.309  -1.328   2.461  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1        4.806  -3.920   1.924  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.034   0.043   2.430  0.00  0.00    +0.018 A 
ATOM     26  N   LIG    1        1.862   0.133   0.596  0.00  0.00    -0.233 NA
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9