REMARK  Name = BDB055534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.261   0.662   0.534  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1        0.956   1.062  -0.182  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        1.867   1.821   0.796  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1        3.351   1.320   1.394  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1        1.451   3.075   1.193  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1        2.162   3.613   1.680  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1        0.229   3.713   0.898  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -0.988   3.059   0.637  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -2.130   3.821   0.322  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -2.070   5.213   0.271  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -0.874   5.856   0.568  0.00  0.00    +0.043 A 
ATOM     12 CL   LIG    1       -0.796   7.574   0.535  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        0.265   5.117   0.891  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -1.224   1.608   0.879  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -2.279   1.314   1.439  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1        1.519   0.041  -1.173  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        1.094   0.116  -2.515  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        1.545  -0.794  -3.475  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.428  -1.814  -3.129  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        2.846  -1.919  -1.806  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.391  -1.007  -0.842  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  O   LIG    1        2.789  -2.636  -4.159  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1        3.724  -3.666  -3.862  0.00  0.00    +0.277 C 
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   1  24
ATOM     24  C   LIG    1       -0.384  -0.690   1.133  0.00  0.00    +0.216 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.523  -1.512   0.521  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -1.293  -2.252  -0.654  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.312  -3.001  -1.248  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -3.580  -3.020  -0.677  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -4.836  -3.941  -1.408  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -3.836  -2.296   0.482  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -2.814  -1.547   1.075  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  C   LIG    1       -0.310  -0.638   2.678  0.00  0.00    +0.332 C 
ATOM     33  O   LIG    1        0.125   0.313   3.321  0.00  0.00    -0.248 OA
BRANCH  32  35
ATOM     34  C   LIG    1       -0.594  -1.854   4.664  0.00  0.00    +0.280 C 
ATOM     35  O   LIG    1       -0.672  -1.831   3.239  0.00  0.00    -0.466 OA
ENDBRANCH  32  35
ENDBRANCH  24  32
ENDBRANCH   1  24
TORSDOF 6