REMARK  Name = BDB023351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.976   0.505   2.118  0.00  0.00    +0.075 S 
ATOM      2  O   LIG    1       -1.917   0.409   3.564  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.559   1.664   1.489  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.687  -1.021   1.541  0.00  0.00    +0.116 A 
ATOM      5  C   LIG    1       -3.772  -1.086   0.650  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -4.227  -2.365   0.267  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.638  -3.533   0.759  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.579  -3.451   1.654  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.106  -2.201   2.048  0.00  0.00    +0.029 A 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.481   0.074   0.100  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1       -4.111   0.618  -1.140  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -4.805   1.709  -1.664  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1       -4.339   2.368  -3.185  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -5.878   2.266  -0.972  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.261   1.730   0.257  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.568   0.638   0.787  0.00  0.00    +0.008 A 
ENDBRANCH   5  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     17  C   LIG    1        0.013   0.284   0.296  0.00  0.00    +0.298 C 
ATOM     18  N   LIG    1       -0.392   0.418   1.628  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1        0.263   0.427   2.398  0.00  0.00    +0.177 HD
ATOM     20  O   LIG    1       -0.783   0.097  -0.612  0.00  0.00    -0.265 OA
BRANCH  17  27
ATOM     21  C   LIG    1        6.558  -0.220  -2.915  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.551   0.070  -1.839  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        4.188  -0.130  -2.087  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        3.313   0.132  -1.036  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1        3.704   0.560   0.225  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        2.496   0.699   0.966  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        1.451   0.348   0.126  0.00  0.00    +0.192 A 
ATOM     28  C   LIG    1        5.079   0.751   0.488  0.00  0.00    -0.039 A 
ATOM     29  C   LIG    1        5.628   1.209   1.810  0.00  0.00    +0.044 C 
ATOM     30  O   LIG    1        1.962   0.004  -1.097  0.00  0.00    -0.450 OA
ATOM     31  C   LIG    1        5.981   0.490  -0.570  0.00  0.00    +0.007 A 
ENDBRANCH  17  27
ENDBRANCH   1  18
TORSDOF 4