REMARK  Name = BDB053935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.810   0.989  -1.030  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.812   0.406  -0.273  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        1.088  -0.091   0.565  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.560   1.917  -1.795  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.756  -2.032  -0.191  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        3.573  -0.814  -0.442  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        3.139   0.448  -0.817  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        4.500   1.461  -1.075  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        5.563   0.188  -0.622  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.949  -0.938  -0.311  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        7.032   0.356  -0.587  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        7.690   1.539  -0.968  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        9.086   1.639  -0.913  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        9.845   0.556  -0.477  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       11.558   0.682  -0.410  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        9.220  -0.626  -0.096  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.825  -0.722  -0.152  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.525   0.975  -0.239  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.521   0.006   0.408  0.00  0.00    +0.152 C 
ATOM     20  O   LIG    1       -1.022  -0.328   1.724  0.00  0.00    -0.372 OA
ATOM     21  C   LIG    1       -2.053  -0.716   2.643  0.00  0.00    +0.179 C 
ATOM     22  C   LIG    1       -3.305  -1.304   1.973  0.00  0.00    +0.133 C 
ATOM     23  N   LIG    1       -3.895  -0.310   1.062  0.00  0.00    -0.325 N 
ATOM     24  C   LIG    1       -2.939   0.619   0.428  0.00  0.00    +0.138 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.203  -0.411   0.617  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -5.859   0.678   0.022  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -7.190   0.583  -0.415  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -7.891  -0.615  -0.300  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -7.268  -1.705   0.293  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -5.948  -1.596   0.751  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.872   1.744  -1.025  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -8.564   1.665  -2.023  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -7.680   2.885  -0.329  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -7.250   2.758   0.538  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7