REMARK  Name = BDB015398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.658  -1.428   4.386  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.199  -0.922   3.106  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.950  -0.044   3.054  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.565  -0.050   2.361  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.312   0.849   1.319  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.374   1.538   0.731  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.679   1.322   1.186  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1        3.920   0.461   2.259  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        2.862  -0.230   2.851  0.00  0.00    +0.032 A 
BRANCH   7  10
ATOM     10  O   LIG    1        4.765   1.990   0.667  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.877   2.043  -0.704  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        4.729   0.918  -1.520  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.889   1.038  -2.901  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        5.212   2.274  -3.462  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.382   3.391  -2.644  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.222   3.274  -1.263  0.00  0.00    +0.046 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1        0.000  -2.245   2.067  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1       -0.289  -2.136   0.690  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1        0.466  -2.858  -0.078  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        1.438  -3.550   0.797  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1        0.984  -3.331   2.235  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1       -1.312  -1.333   0.270  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1       -2.596  -1.295   1.000  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -3.783  -1.671   0.088  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -3.925  -0.820  -1.112  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -2.650  -0.204  -1.514  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -1.434  -1.094  -1.183  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.105   0.045  -1.015  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -4.978   1.198   0.006  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -5.751   2.063  -1.018  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -5.201   1.122  -2.119  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   2  17
TORSDOF 6