REMARK  Name = BDB050579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.757  -0.585  -1.075  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.735  -1.948  -0.765  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.518  -2.620  -0.629  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.306  -1.948  -0.796  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.323  -0.591  -1.114  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.540   0.086  -1.250  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.067   0.154  -1.214  0.00  0.00    +0.059 C 
BRANCH   7  11
ATOM      8  O   LIG    1       -7.314   0.536   2.439  0.00  0.00    -0.263 OA
ATOM      9  C   LIG    1       -6.465   0.824   1.613  0.00  0.00    +0.279 C 
ATOM     10  S   LIG    1       -4.940  -0.004   1.455  0.00  0.00    -0.054 S 
ATOM     11  C   LIG    1       -4.425   0.996   0.013  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -5.615   1.885  -0.282  0.00  0.00    +0.234 C 
ATOM     13  O   LIG    1       -5.719   2.614  -1.260  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1       -6.576   1.794   0.678  0.00  0.00    -0.246 N 
ATOM     15  H   LIG    1       -7.438   2.308   0.592  0.00  0.00    +0.158 HD
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.801  -2.731  -0.629  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.087  -2.109  -0.596  0.00  0.00    +0.250 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.387  -1.561   0.796  0.00  0.00    +0.164 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.701  -0.964   0.872  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        4.021   0.351   0.635  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        5.403   0.394   0.812  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1        6.083   1.609   0.637  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        5.349   2.749   0.289  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.964   2.682   0.121  0.00  0.00    +0.002 A 
ATOM     25  N   LIG    1        5.897  -0.842   1.151  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        3.268   1.479   0.290  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        4.851  -1.633   1.188  0.00  0.00    +0.200 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6