REMARK  Name = BDB039907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.160   0.397  -0.060  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.358  -0.529  -1.086  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.566  -0.871  -1.622  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -2.057   0.814   0.656  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        4.758   1.002  -0.504  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        3.595   0.386  -0.999  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1        2.378   0.709  -0.402  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.238   1.621   0.633  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        0.853   1.653   0.938  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        0.231   0.768   0.076  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        3.388   2.267   1.106  0.00  0.00    +0.013 A 
ATOM     12  O   LIG    1        1.167   0.189  -0.745  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        4.628   1.955   0.518  0.00  0.00    +0.024 A 
BRANCH   5  14
ATOM     14  N   LIG    1        5.966   0.724  -1.149  0.00  0.00    -0.344 N 
ATOM     15  H   LIG    1        5.967  -0.186  -1.604  0.00  0.00    +0.146 HD
BRANCH  14  17
ATOM     16  C   LIG    1        7.723   2.426  -1.085  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        7.256   1.075  -0.570  0.00  0.00    +0.098 C 
ENDBRANCH  14  17
ENDBRANCH   5  14
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  S   LIG    1       -2.836  -1.098  -1.574  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -2.541  -2.111  -2.567  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.642   0.055  -1.901  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.440  -1.948  -0.142  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.713  -1.722   0.380  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -5.135  -2.439   1.505  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -4.280  -3.352   2.124  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.006  -3.574   1.608  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.586  -2.880   0.472  0.00  0.00    +0.032 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -5.614  -0.902  -0.236  0.00  0.00    -0.490 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -5.770   0.329   0.482  0.00  0.00    +0.226 C 
ATOM     29  C   LIG    1       -6.651   1.248  -0.344  0.00  0.00    +0.048 C 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 7