REMARK  Name = BDB015547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.970   0.147  -0.685  0.00  0.00    +0.070 A 
ATOM      2  N   LIG    1        1.123   1.290   0.013  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        0.089   1.681   0.783  0.00  0.00    +0.324 A 
ATOM      4  N   LIG    1       -1.065   1.019   0.924  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -1.194  -0.121   0.219  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.202  -0.584  -0.628  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.489  -0.830   0.375  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.519  -2.173   0.466  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.703  -2.878   0.616  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.635  -4.329   0.699  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.946  -2.250   0.695  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -6.015  -2.846   0.813  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.926  -0.754   0.633  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.242  -0.054   0.753  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.753  -0.118   0.485  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  C   LIG    1        2.112  -0.245  -1.576  0.00  0.00    +0.221 C 
BRANCH  16  17
ATOM     17  S   LIG    1        2.798  -1.789  -1.005  0.00  0.00    -0.026 S 
ATOM     18  O   LIG    1        3.264  -1.633   0.359  0.00  0.00    -0.174 OA
ATOM     19  O   LIG    1        1.872  -2.852  -1.359  0.00  0.00    -0.174 OA
BRANCH  17  21
ATOM     20  C   LIG    1        4.987  -3.251  -1.752  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1        4.238  -1.966  -2.046  0.00  0.00    +0.163 C 
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   3  22
ATOM     22  O   LIG    1        0.203   2.829   1.558  0.00  0.00    -0.421 OA
BRANCH  22  23
ATOM     23  C   LIG    1        1.213   3.691   1.219  0.00  0.00    +0.167 A 
ATOM     24  C   LIG    1        1.195   4.404   0.018  0.00  0.00    +0.168 A 
ATOM     25  F   LIG    1        0.192   4.237  -0.856  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        2.211   5.302  -0.288  0.00  0.00    +0.080 A 
ATOM     27  C   LIG    1        3.238   5.490   0.628  0.00  0.00    +0.126 A 
ATOM     28  F   LIG    1        4.223   6.352   0.344  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        3.260   4.803   1.841  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        2.237   3.904   2.144  0.00  0.00    +0.052 A 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6