REMARK  Name = BDB061025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.480   0.765   1.165  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.308   0.103   1.547  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.891   0.814   1.664  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1        0.940   2.186   1.419  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.225   2.846   1.039  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.427   2.139   0.910  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -4.218   1.539   0.303  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -3.917   0.403   0.661  0.00  0.00    +0.239 C 
ATOM      9  N   LIG    1       -2.652  -0.014   1.067  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1       -2.548  -0.995   1.298  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -4.936  -0.743   0.727  0.00  0.00    +0.243 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -6.210  -0.348   0.142  0.00  0.00    -0.219 N 
ATOM     13  C   LIG    1       -6.345  -0.376  -1.244  0.00  0.00    +0.288 A 
ATOM     14  O   LIG    1       -5.471  -0.820  -1.988  0.00  0.00    -0.265 OA
ATOM     15  C   LIG    1       -7.628   0.157  -1.786  0.00  0.00    +0.126 A 
ATOM     16 CL   LIG    1       -7.823   0.141  -3.503  0.00  0.00    -0.076 Cl
ATOM     17  C   LIG    1       -8.562   0.616  -0.953  0.00  0.00    +0.084 A 
ATOM     18 CL   LIG    1      -10.088   1.256  -1.408  0.00  0.00    -0.080 Cl
ATOM     19  C   LIG    1       -8.266   0.554   0.483  0.00  0.00    +0.154 A 
ATOM     20  N   LIG    1       -7.176   0.102   1.011  0.00  0.00    -0.175 NA
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  S   LIG    1        2.376  -0.032   2.141  0.00  0.00    +0.058 S 
ATOM     22  O   LIG    1        3.006   0.760   3.173  0.00  0.00    -0.153 OA
ATOM     23  O   LIG    1        2.064  -1.432   2.334  0.00  0.00    -0.153 OA
BRANCH  21  24
ATOM     24  N   LIG    1        3.306   0.116   0.760  0.00  0.00    -0.190 NA
ATOM     25  H   LIG    1        4.281   0.388   0.951  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.165  -0.889  -0.305  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.958  -0.459  -1.544  0.00  0.00    +0.072 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.457  -0.503  -1.346  0.00  0.00    +0.043 A 
ATOM     29  N   LIG    1        5.953  -0.032  -0.171  0.00  0.00    -0.260 NA
ATOM     30  C   LIG    1        7.295  -0.040  -0.011  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        8.182  -0.486  -0.975  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.664  -0.948  -2.178  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        6.285  -0.953  -2.372  0.00  0.00    +0.023 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH   3  21
TORSDOF 8