REMARK  Name = BDB002654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.179  -1.496   0.557  0.00  0.00    +0.177 A 
ATOM      2  C   LIG    1       -0.019  -2.174   0.738  0.00  0.00    +0.119 A 
ATOM      3  S   LIG    1        0.259  -3.869   0.882  0.00  0.00    -0.088 S 
ATOM      4  C   LIG    1        1.946  -3.686   0.725  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.307  -2.370   0.554  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.405  -1.695   0.807  0.00  0.00    +0.259 C 
ATOM      7  N   LIG    1       -1.530  -0.314   0.868  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -0.664   0.209   0.890  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -2.366  -2.461   0.808  0.00  0.00    -0.269 OA
BRANCH   7  10
ATOM     10  C   LIG    1       -2.708   0.460   0.919  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -2.551   1.852   0.978  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -3.669   2.687   1.028  0.00  0.00    +0.043 A 
ATOM     13 CL   LIG    1       -3.456   4.393   1.099  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -4.953   2.152   1.019  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.117   0.770   0.960  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -4.000  -0.071   0.909  0.00  0.00    +0.023 A 
ENDBRANCH   7  10
ENDBRANCH   2   6
BRANCH   1  17
ATOM     17  O   LIG    1        1.185  -0.150   0.401  0.00  0.00    -0.332 OA
BRANCH  17  18
ATOM     18  S   LIG    1        2.504   0.748   0.060  0.00  0.00    +0.194 S 
ATOM     19  O   LIG    1        2.047   2.107  -0.149  0.00  0.00    -0.119 OA
ATOM     20  O   LIG    1        3.530   0.469   1.042  0.00  0.00    -0.119 OA
BRANCH  18  22
ATOM     21  C   LIG    1        2.080   0.329  -2.554  0.00  0.00    +0.134 C 
ATOM     22  N   LIG    1        3.056   0.177  -1.454  0.00  0.00    -0.153 NA
ATOM     23  C   LIG    1        4.387   0.706  -1.825  0.00  0.00    +0.134 C 
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5