REMARK  Name = BDB023364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.633  -0.185  -1.055  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.701  -0.473  -0.319  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        0.862  -1.056   0.939  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        0.054  -1.226   1.530  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.688  -0.217  -0.627  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.656  -0.543   0.292  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.857  -0.199  -0.249  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1       -2.679   0.353  -1.507  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.821   0.765  -2.200  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -5.085   0.608  -1.616  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -5.259   0.043  -0.337  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1       -3.722   1.311  -3.419  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.101  -0.368   0.360  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -1.281   0.341  -1.746  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -6.620  -0.138   0.316  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -7.702   0.902   0.158  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.852  -0.440  -0.502  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  S   LIG    1        2.307  -1.569   1.566  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1        2.006  -1.966   2.928  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        2.868  -2.510   0.626  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.257  -0.080   1.671  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1        4.515   0.046   1.085  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        5.217   1.251   1.204  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.657   2.329   1.891  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.401   2.203   2.482  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        2.702   1.000   2.377  0.00  0.00    +0.032 A 
BRANCH  22  27
ATOM     27  O   LIG    1        5.131  -1.004   0.462  0.00  0.00    -0.487 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.167  -0.837  -0.973  0.00  0.00    +0.174 C 
ATOM     29  C   LIG    1        5.888  -1.933  -1.711  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1        6.518  -0.578  -1.583  0.00  0.00    +0.048 C 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   3  18
TORSDOF 6