REMARK  Name = BDB023369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.165   1.158  -1.825  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.636   2.042  -1.682  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.651  -0.031  -1.268  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.025  -1.046  -1.197  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.013   0.079  -0.780  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.553  -1.016  -0.151  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.822  -0.702   0.217  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        4.124   0.594  -0.165  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        5.401   1.079   0.140  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        6.317   0.257   0.805  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        5.998  -1.061   1.178  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        5.755   2.327  -0.195  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.709  -1.548   0.882  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        2.959   1.093  -0.805  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        7.002  -1.922   1.908  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        8.354  -2.195   1.289  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        7.345  -3.298   1.385  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -1.402   1.360  -2.331  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -1.668   0.398  -3.379  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.561   2.778  -2.588  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -2.202   1.671   0.280  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -2.377   0.965  -0.910  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.337  -0.052  -1.000  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -4.127  -0.382   0.113  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -3.929   0.322   1.310  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.969   1.334   1.397  0.00  0.00    +0.048 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -5.165  -1.494   0.048  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -4.483  -2.849  -0.169  0.00  0.00    +0.012 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.237  -1.188  -1.018  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -7.420  -2.146  -0.977  0.00  0.00    +0.004 C 
ENDBRANCH  27  29
ENDBRANCH  24  27
BRANCH  21  31
ATOM     31  O   LIG    1       -1.224   2.623   0.387  0.00  0.00    -0.490 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -0.688   4.947   0.330  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -1.787   3.930   0.573  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  21  31
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 8