REMARK  Name = BDB003511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.442  -0.282   1.518  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.087  -0.583   1.681  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.287   0.296   2.413  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        0.831   1.445   3.002  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.190   1.721   2.856  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        3.000   0.855   2.119  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.833   0.557  -0.939  0.00  0.00    +0.132 C 
ATOM      8  N   LIG    1        3.973  -0.774  -0.363  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        3.296  -1.226   0.767  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        3.369  -2.375   1.194  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.002  -1.641  -0.933  0.00  0.00    +0.142 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.383  -1.268  -0.444  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        7.243  -0.498  -1.242  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        8.511  -0.133  -0.775  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        9.504   0.821  -1.819  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        8.930  -0.536   0.497  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1       10.479  -0.120   1.139  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        8.078  -1.301   1.298  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        6.812  -1.663   0.831  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  S   LIG    1       -1.439  -0.048   2.641  0.00  0.00    +0.061 S 
ATOM     21  O   LIG    1       -1.745  -1.316   2.014  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1       -1.744   0.195   4.035  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  N   LIG    1       -2.182   1.175   1.708  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -3.659   1.306   1.958  0.00  0.00    +0.125 C 
ATOM     25  C   LIG    1       -4.477   0.618   0.853  0.00  0.00    +0.102 C 
ATOM     26  N   LIG    1       -4.277   1.223  -0.486  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1       -2.936   1.830  -0.603  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -1.847   1.149   0.246  0.00  0.00    +0.125 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.528   0.244  -1.557  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.960  -0.245  -1.597  0.00  0.00    -0.033 A 
ATOM     31  C   LIG    1       -6.261  -1.598  -1.385  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -7.583  -2.044  -1.427  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.617  -1.145  -1.683  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.331   0.202  -1.896  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.010   0.651  -1.854  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 7