REMARK  Name = BDB050655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.930   1.276   0.702  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -0.808   0.974   1.374  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        0.314   1.612   1.014  0.00  0.00    +0.192 A 
ATOM      4  N   LIG    1        0.406   2.533   0.054  0.00  0.00    -0.210 NA
ATOM      5  C   LIG    1       -0.745   2.814  -0.567  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1       -0.613   4.010  -1.791  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1       -1.950   2.226  -0.292  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.097   0.607   1.099  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -2.836  -0.043   1.839  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1       -7.752  -1.134   0.549  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.368  -0.852   0.026  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -5.393  -0.189   0.811  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1       -5.713   0.235   2.225  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -4.101   0.037   0.277  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -3.812  -0.398  -1.026  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.784  -1.019  -1.805  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.054  -1.242  -1.283  0.00  0.00    +0.004 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  S   LIG    1        1.807   1.137   1.838  0.00  0.00    -0.066 S 
BRANCH  18  19
ATOM     19  C   LIG    1        2.660   0.397   0.390  0.00  0.00    +0.193 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.090  -0.085   0.653  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        5.093  -0.011  -0.367  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1        6.403  -0.475  -0.073  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        7.419  -0.405  -1.041  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        7.168   0.105  -2.312  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.894   0.549  -2.630  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.693  -1.016   1.186  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.708  -1.125   2.158  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.874   0.490  -1.676  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        4.420  -0.674   1.892  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  30
ATOM     30  C   LIG    1        1.793  -0.700  -0.215  0.00  0.00    +0.323 C 
ATOM     31  O   LIG    1        1.191  -0.627  -1.278  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1        1.685  -1.817   0.536  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        1.096  -2.405   0.021  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  19  30
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7