REMARK  Name = BDB003134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.568  -0.898   0.099  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -0.368  -2.135   0.730  0.00  0.00    +0.053 A 
ATOM      3 CL   LIG    1       -1.430  -2.770   1.935  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        0.755  -2.911   0.407  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.691  -2.454  -0.522  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.508  -1.210  -1.127  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1        0.375  -0.445  -0.840  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.442   1.225   0.409  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.701   0.026   0.380  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -2.939  -0.562   0.533  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -2.975  -1.574   0.503  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -4.172   0.080   0.775  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.297  -0.741   0.935  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.557  -0.186   1.176  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.704   1.195   1.258  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.593   2.019   1.100  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.331   1.464   0.859  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  S   LIG    1        2.688  -0.618  -2.325  0.00  0.00    +0.061 S 
ATOM     19  O   LIG    1        3.469  -1.760  -2.750  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        1.959   0.189  -3.278  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        3.692   0.395  -1.409  0.00  0.00    -0.175 NA
ATOM     22  C   LIG    1        3.165   1.720  -0.981  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        3.012   1.845   0.533  0.00  0.00    +0.086 C 
ATOM     24  S   LIG    1        4.606   1.758   1.422  0.00  0.00    -0.158 S 
ATOM     25  C   LIG    1        5.548   0.743   0.233  0.00  0.00    +0.086 C 
ATOM     26  C   LIG    1        4.663  -0.264  -0.496  0.00  0.00    +0.120 C 
ENDBRANCH  18  21
ENDBRANCH   6  18
TORSDOF 4