REMARK  Name = BDB015357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.187  -1.889   0.255  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1        0.916  -0.965   1.096  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.235  -3.319   0.490  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -4.210  -0.587   0.494  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -3.201   0.328   0.145  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.863  -0.067   0.077  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.524  -1.393   0.354  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1       -2.505  -2.320   0.709  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -3.841  -1.915   0.775  0.00  0.00    +0.010 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.088   0.807   1.469  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -5.624  -0.169   0.556  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -6.552  -0.762  -0.323  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -7.898  -0.399  -0.306  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -8.341   0.565   0.592  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.442   1.166   1.475  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.595   2.247   3.314  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -5.146   1.345   2.312  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   4  11
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  N   LIG    1        0.525  -1.618  -1.394  0.00  0.00    -0.172 N 
ATOM     19  C   LIG    1        1.861  -1.620  -1.856  0.00  0.00    +0.201 C 
ATOM     20  N   LIG    1        2.115  -2.477  -2.794  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        0.866  -3.243  -3.012  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1       -0.251  -2.468  -2.324  0.00  0.00    +0.158 C 
BRANCH  19  23
ATOM     23  N   LIG    1        2.738  -0.718  -1.332  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1        2.360   0.673  -1.060  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1        3.356   1.305  -0.069  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1        4.745   1.396  -0.592  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1        4.983   0.359  -1.624  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1        4.187  -0.953  -1.460  0.00  0.00    +0.123 C 
BRANCH  26  29
ATOM     29  C   LIG    1        5.694   1.234   0.522  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1        5.628   2.469   1.461  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1        7.170   2.423   1.492  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        7.094   1.758   0.101  0.00  0.00    +0.019 C 
ENDBRANCH  26  29
ENDBRANCH  19  23
ENDBRANCH   1  18
TORSDOF 6