REMARK  Name = BDB054967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.662  -0.583  -0.267  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.143  -0.992  -0.331  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -2.982  -0.452   0.658  0.00  0.00    -0.189 N 
ATOM      4  H   LIG    1       -2.624   0.245   1.308  0.00  0.00    +0.176 HD
ATOM      5  O   LIG    1       -2.577  -1.772  -1.170  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  S   LIG    1       -4.525  -0.944   0.986  0.00  0.00    +0.042 S 
ATOM      7  O   LIG    1       -4.985  -0.050   2.030  0.00  0.00    -0.155 OA
ATOM      8  O   LIG    1       -4.527  -2.374   1.187  0.00  0.00    -0.155 OA
ATOM      9  C   LIG    1       -5.415  -0.536  -0.503  0.00  0.00    +0.218 C 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   LIG    1        0.044  -0.740  -1.631  0.00  0.00    +0.024 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -1.588   0.561  -3.139  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -0.151   0.359  -2.687  0.00  0.00    -0.002 C 
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   1  13
ATOM     13  S   LIG    1       -0.475   1.096   0.463  0.00  0.00    -0.086 S 
BRANCH  13  14
ATOM     14  C   LIG    1        1.194   1.060   0.988  0.00  0.00    +0.136 A 
ATOM     15  S   LIG    1        2.008   2.470   1.513  0.00  0.00    -0.061 S 
ATOM     16  C   LIG    1        3.427   1.540   1.803  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        3.168   0.205   1.478  0.00  0.00    +0.081 A 
ATOM     18  C   LIG    1        4.195  -0.746   1.633  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        5.442  -0.334   2.107  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        5.684   0.998   2.428  0.00  0.00    +0.021 A 
ATOM     21 CL   LIG    1        6.701  -1.493   2.292  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        4.679   1.959   2.282  0.00  0.00    +0.018 A 
ATOM     23  N   LIG    1        1.886  -0.053   1.020  0.00  0.00    -0.233 NA
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6