REMARK  Name = BDB053546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.995  -2.396   0.010  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.157  -1.732   0.777  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1        1.363  -1.575   0.074  0.00  0.00    -0.185 N 
ATOM      4  H   LIG    1        1.425  -1.838  -0.905  0.00  0.00    +0.177 HD
ATOM      5  O   LIG    1        0.040  -1.419   1.956  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  S   LIG    1        2.751  -0.891   0.663  0.00  0.00    +0.074 S 
ATOM      7  O   LIG    1        3.101  -1.511   1.920  0.00  0.00    -0.150 OA
ATOM      8  O   LIG    1        3.678  -0.906  -0.452  0.00  0.00    -0.150 OA
BRANCH   6   9
ATOM      9  C   LIG    1        2.290   0.798   0.945  0.00  0.00    +0.109 A 
ATOM     10  C   LIG    1        2.435   1.735  -0.084  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.123   3.073   0.154  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.677   3.472   1.415  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        1.540   2.536   2.442  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.854   1.196   2.212  0.00  0.00    +0.029 A 
ENDBRANCH   6   9
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  16
ATOM     15  C   LIG    1        0.140  -4.712  -0.297  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -1.024  -3.918   0.307  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -2.355  -4.550  -0.118  0.00  0.00    +0.009 C 
ENDBRANCH   1  16
BRANCH   1  18
ATOM     18  S   LIG    1       -0.956  -1.981  -1.785  0.00  0.00    -0.086 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.146  -0.240  -1.720  0.00  0.00    +0.136 A 
ATOM     20  S   LIG    1       -1.002   0.752  -3.103  0.00  0.00    -0.061 S 
ATOM     21  C   LIG    1       -1.265   2.146  -2.125  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -1.450   1.740  -0.801  0.00  0.00    +0.081 A 
ATOM     23  C   LIG    1       -1.684   2.716   0.187  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -1.719   4.062  -0.179  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1       -1.533   4.451  -1.502  0.00  0.00    +0.021 A 
ATOM     26 CL   LIG    1       -1.986   5.260   1.028  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -1.304   3.498  -2.500  0.00  0.00    +0.018 A 
ATOM     28  N   LIG    1       -1.377   0.375  -0.587  0.00  0.00    -0.233 NA
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6