REMARK  Name = BDB023404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.087   0.225  -2.543  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -2.101   1.314  -3.497  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.787  -1.009  -2.837  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -3.788   2.556   0.298  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -3.307   2.060  -0.922  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.680   0.808  -0.982  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.531   0.030   0.169  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -2.987   0.528   1.389  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -3.617   1.776   1.451  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -3.654   4.908   1.194  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -4.457   3.919   0.346  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1       -5.902   3.821   0.844  0.00  0.00    +0.012 C 
ENDBRANCH   4  11
BRANCH   7  13
ATOM     13  O   LIG    1       -1.869  -1.172   0.094  0.00  0.00    -0.487 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -2.493  -2.308   0.744  0.00  0.00    +0.174 C 
ATOM     15  C   LIG    1       -3.796  -2.860   0.114  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -2.933  -3.875  -0.657  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -1.845  -3.675   0.411  0.00  0.00    +0.045 C 
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1       -0.506  -0.199  -2.271  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1       -0.390  -1.203  -2.234  0.00  0.00    +0.177 HD
ATOM     20  C   LIG    1        0.436   0.661  -1.693  0.00  0.00    +0.298 C 
ATOM     21  O   LIG    1        0.200   1.839  -1.470  0.00  0.00    -0.265 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.688   0.003  -1.372  0.00  0.00    +0.192 A 
ATOM     23  O   LIG    1        2.629   0.726  -0.679  0.00  0.00    -0.450 OA
ATOM     24  C   LIG    1        3.708  -0.075  -0.484  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1        3.487  -1.321  -1.044  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1        4.508  -2.270  -0.930  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        5.697  -1.940  -0.268  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        5.914  -0.668   0.299  0.00  0.00    -0.038 A 
ATOM     29  F   LIG    1        4.359  -3.497  -1.449  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.880   0.287   0.182  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1        2.189  -1.267  -1.617  0.00  0.00    +0.066 A 
BRANCH  28  32
ATOM     32  C   LIG    1        7.195  -0.286   1.021  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1        8.537  -0.808   0.566  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.949  -1.287   1.863  0.00  0.00    +0.009 C 
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 7