REMARK  Name = BDB033610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.111   0.121  -1.178  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.071  -0.239  -0.478  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.558   0.969  -0.014  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.721   1.118   0.732  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        3.431  -0.060   0.987  0.00  0.00    +0.138 A 
ATOM      6  C   LIG    1        2.957  -1.310   0.563  0.00  0.00    +0.093 A 
ATOM      7  O   LIG    1        0.719   1.968  -0.394  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.763  -1.427  -0.169  0.00  0.00    +0.142 A 
ATOM      9  N   LIG    1       -0.335   1.437  -1.117  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.933  -0.793  -1.823  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.726  -1.782  -1.712  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.514  -0.482  -2.269  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.478   0.555  -3.278  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.100  -1.776  -2.573  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.054   1.260  -0.761  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.291   0.090  -0.784  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.143  -0.655   0.396  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -3.694  -0.196   1.598  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.447   0.976   1.616  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.642   1.691   0.436  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.645   3.189  -1.963  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.355   1.950  -1.902  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.412  -1.817   0.417  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.275  -2.951   0.554  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  O   LIG    1        4.587  -0.069   1.736  0.00  0.00    -0.432 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.585   0.784   1.487  0.00  0.00    +0.262 A 
ATOM     27  S   LIG    1        6.936   0.862   2.545  0.00  0.00    -0.037 S 
ATOM     28  C   LIG    1        7.639   2.061   1.542  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        6.808   2.315   0.473  0.00  0.00    +0.122 A 
ATOM     30  N   LIG    1        5.636   1.584   0.443  0.00  0.00    -0.214 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1        1.234  -2.607  -0.620  0.00  0.00    -0.461 OA
BRANCH  31  32
ATOM     32  C   LIG    1        1.581  -3.774   0.119  0.00  0.00    +0.444 C 
ATOM     33  F   LIG    1        2.836  -4.149  -0.233  0.00  0.00    -0.204 F 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 9