REMARK  Name = BDB032597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.816   0.988  -1.700  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -1.380   1.337  -2.991  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.026   1.954  -0.967  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -4.565   0.200  -0.377  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -3.471   0.595  -1.154  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.162   0.465  -0.659  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -1.925  -0.048   0.623  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.026  -0.434   1.396  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.331  -0.310   0.902  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.550   1.722  -0.565  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.971   0.355  -0.898  0.00  0.00    +0.032 C 
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  O   LIG    1       -0.628  -0.144   1.041  0.00  0.00    -0.493 OA
ATOM     13  C   LIG    1       -0.381  -0.657   2.344  0.00  0.00    +0.277 C 
ENDBRANCH   7  12
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  N   LIG    1        0.016  -0.438  -1.969  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1       -0.234  -0.867  -2.857  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.344  -0.649  -1.627  0.00  0.00    +0.181 A 
ATOM     17  N   LIG    1        2.034  -1.586  -2.283  0.00  0.00    -0.061 NA
ATOM     18  O   LIG    1        3.297  -1.586  -1.722  0.00  0.00    -0.353 OA
ATOM     19  C   LIG    1        3.360  -0.656  -0.726  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        2.133  -0.041  -0.632  0.00  0.00    +0.097 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.632  -0.528  -0.023  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.702  -1.399  -0.283  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        6.916  -1.269   0.399  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.078  -0.266   1.351  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.028   0.608   1.621  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.814   0.477   0.939  0.00  0.00    +0.011 A 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6