REMARK  Name = BDB015369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.238  -0.980  -2.044  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1        1.992  -1.273  -3.249  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.205  -1.893  -1.604  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        6.542  -0.450   2.183  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        5.172  -0.550   2.449  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        4.243  -0.652   1.401  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        4.705  -0.652   0.062  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        3.779  -0.752  -0.987  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.412  -0.838  -0.709  0.00  0.00    +0.109 A 
ATOM     10  C   LIG    1        1.952  -0.862   0.608  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        6.082  -0.554  -0.191  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.866  -0.761   1.657  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        6.995  -0.453   0.862  0.00  0.00    +0.019 A 
BRANCH   4  15
ATOM     14  N   LIG    1        8.235  -0.260   4.139  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        7.478  -0.345   3.264  0.00  0.00    +0.099 C 
ENDBRANCH   4  15
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  N   LIG    1        0.643   0.597  -2.181  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.068   1.276  -1.171  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1        0.358   2.475  -0.926  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        1.519   2.711  -1.814  0.00  0.00    +0.166 C 
ATOM     20  C   LIG    1        1.557   1.565  -2.817  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -1.126   0.667  -0.557  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -2.098  -0.131  -1.333  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -3.530   0.428  -1.190  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -4.047   0.472   0.201  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1       -2.924   0.569   1.167  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -1.712   1.346   0.618  0.00  0.00    +0.123 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.836  -0.736   0.491  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1       -6.226  -0.632  -0.193  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -6.821  -1.181   1.121  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.598  -0.566   1.834  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  17  21
ENDBRANCH   1  16
TORSDOF 5