REMARK  Name = BDB003482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.552   2.941   3.397  0.00  0.00    -0.291 OA
ATOM      2  C   LIG    1       -1.560   2.921   2.671  0.00  0.00    +0.170 C 
ATOM      3  C   LIG    1       -1.269   1.895   1.683  0.00  0.00    +0.060 A 
ATOM      4  S   LIG    1       -2.313   0.598   1.409  0.00  0.00    -0.070 S 
ATOM      5  C   LIG    1       -1.368  -0.016   0.111  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1       -0.168   0.699   0.000  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1       -0.153   1.858   0.871  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        0.879   2.949   0.943  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1        0.268   4.241   1.501  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -0.481   3.991   2.813  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.879   0.285  -0.942  0.00  0.00    +0.247 C 
ATOM     12  N   LIG    1        2.169   0.530  -0.526  0.00  0.00    -0.309 N 
ATOM     13  H   LIG    1        2.334   0.810   0.430  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        0.634  -0.314  -1.986  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.319   0.119  -1.319  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.562  -1.398  -1.262  0.00  0.00    +0.157 C 
BRANCH  16  17
ATOM     17  O   LIG    1        3.784  -1.788   0.105  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1        2.914  -1.739   0.542  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        4.799  -1.795  -2.070  0.00  0.00    +0.188 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.967  -1.205  -1.500  0.00  0.00    -0.392 OA
ATOM     21  H   LIG    1        5.933  -1.449  -0.553  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6  11
BRANCH   5  22
ATOM     22  N   LIG    1       -1.686  -1.115  -0.634  0.00  0.00    -0.306 N 
ATOM     23  H   LIG    1       -0.978  -1.438  -1.304  0.00  0.00    +0.153 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.904  -1.794  -0.862  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -2.838  -3.116  -1.347  0.00  0.00    +0.145 A 
ATOM     26  F   LIG    1       -1.637  -3.654  -1.616  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -3.973  -3.894  -1.562  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1       -5.222  -3.352  -1.285  0.00  0.00    +0.016 A 
ATOM     29  I   LIG    1       -6.935  -4.484  -1.595  0.00  0.00    -0.044 I 
ATOM     30  C   LIG    1       -5.328  -2.048  -0.805  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1       -4.174  -1.278  -0.593  0.00  0.00    +0.027 A 
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 8