REMARK  Name = BDB056652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.318   4.085  -0.833  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -0.288   2.542  -0.899  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        0.794   1.991   0.033  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        1.647   2.738   0.516  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.799   0.602   0.265  0.00  0.00    -0.288 N 
ATOM      6  C   LIG    1       -0.512  -0.106   0.425  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -1.714   0.509  -0.362  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -1.643   2.038  -0.375  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.454  -1.604   0.127  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.796  -2.532   1.126  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.790  -3.904   0.861  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.451  -4.363  -0.409  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.441  -6.052  -0.733  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.127  -3.461  -1.418  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.138  -2.089  -1.153  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -3.067   0.036   0.170  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.866  -0.807  -0.622  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -5.094  -1.270  -0.148  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -6.054  -2.304  -1.133  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.547  -0.903   1.116  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.766  -0.070   1.913  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.534   0.395   1.446  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1        2.002   0.112   1.004  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.681  -0.081   2.480  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1        1.656  -1.421   3.177  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        2.764  -0.452   3.470  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  27
ATOM     27  C   LIG    1        2.758  -1.038   0.340  0.00  0.00    +0.188 C 
BRANCH  27  28
ATOM     28  S   LIG    1        3.443  -0.648  -1.262  0.00  0.00    -0.032 S 
ATOM     29  O   LIG    1        2.374  -0.286  -2.174  0.00  0.00    -0.175 OA
ATOM     30  O   LIG    1        4.332  -1.744  -1.608  0.00  0.00    -0.175 OA
ATOM     31  C   LIG    1        4.472   0.780  -1.006  0.00  0.00    +0.194 C 
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH   5  23
BRANCH   2  32
ATOM     32  C   LIG    1       -0.036   2.081  -2.353  0.00  0.00    +0.136 C 
BRANCH  32  33
ATOM     33  C   LIG    1        1.210   2.642  -2.995  0.00  0.00    +0.306 C 
ATOM     34  O   LIG    1        2.271   2.913  -2.464  0.00  0.00    -0.251 OA
BRANCH  33  35
ATOM     35  O   LIG    1        1.055   2.802  -4.325  0.00  0.00    -0.481 OA
ATOM     36  H   LIG    1        1.936   3.106  -4.629  0.00  0.00    +0.295 HD
ENDBRANCH  33  35
ENDBRANCH  32  33
ENDBRANCH   2  32
TORSDOF 9