REMARK  Name = BDB050492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.109  -0.705  -0.628  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1        0.362   0.057  -1.700  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.478   0.876  -1.522  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.126   0.933  -0.279  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        1.649   0.150   0.783  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.534  -0.671   0.612  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -1.534  -1.757  -0.856  0.00  0.00    +0.076 S 
ATOM      8  O   LIG    1       -1.461  -2.780   0.164  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1       -1.595  -2.063  -2.268  0.00  0.00    -0.150 OA
BRANCH   7  12
ATOM     10  O   LIG    1       -4.499  -2.101  -0.917  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1       -4.089  -1.013  -0.549  0.00  0.00    +0.319 C 
ATOM     12  N   LIG    1       -2.747  -0.682  -0.464  0.00  0.00    -0.169 N 
ATOM     13  H   LIG    1       -2.459   0.257  -0.232  0.00  0.00    +0.178 HD
ATOM     14  N   LIG    1       -4.897   0.020  -0.163  0.00  0.00    -0.295 N 
ATOM     15  H   LIG    1       -4.468   0.785   0.330  0.00  0.00    +0.151 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -6.337  -0.152  -0.034  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -6.699  -0.824   1.294  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -8.199  -1.110   1.390  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -9.066  -0.100   0.638  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -8.400   1.266   0.545  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -7.055   1.200  -0.184  0.00  0.00    +0.022 C 
ENDBRANCH  14  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        3.354   1.790  -0.094  0.00  0.00    +0.052 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.629   1.038  -0.483  0.00  0.00    +0.110 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.806   1.873  -0.244  0.00  0.00    -0.190 NA
ATOM     25  H   LIG    1        5.933   2.747  -0.753  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  S   LIG    1        6.649   1.756   1.195  0.00  0.00    +0.058 S 
ATOM     27  O   LIG    1        7.556   2.881   1.230  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        5.697   1.507   2.256  0.00  0.00    -0.153 OA
BRANCH  26  29
ATOM     29  C   LIG    1        7.619   0.291   0.939  0.00  0.00    +0.105 A 
ATOM     30  C   LIG    1        8.723   0.344   0.080  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        9.500  -0.801  -0.113  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        9.174  -1.982   0.557  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       10.137  -3.388   0.324  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        8.077  -2.030   1.419  0.00  0.00    +0.022 A 
ATOM     35  C   LIG    1        7.296  -0.889   1.616  0.00  0.00    +0.030 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8