REMARK  Name = BDB027172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.150  -2.259  -0.527  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        0.889  -3.301  -1.493  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        1.874  -2.511   0.698  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.395  -1.480  -0.138  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1       -1.344  -1.305  -1.146  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -2.568  -0.702  -0.842  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.865  -0.276   0.466  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -1.893  -0.477   1.464  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.665  -1.078   1.169  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -4.152   0.355   0.781  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -4.692   1.392   0.036  0.00  0.00    +0.122 A 
ATOM     12  N   LIG    1       -5.872   1.995   0.298  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1       -6.536   1.530   1.365  0.00  0.00    +0.221 A 
ATOM     14  N   LIG    1       -6.131   0.538   2.171  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -4.945  -0.026   1.852  0.00  0.00    +0.122 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.953  -1.041  -1.358  0.00  0.00    -0.185 NA
ATOM     17  H   LIG    1        2.342  -1.366  -2.244  0.00  0.00    +0.148 HD
BRANCH  16  20
ATOM     18  N   LIG    1        4.937   0.698  -0.148  0.00  0.00    -0.268 N 
ATOM     19  C   LIG    1        4.044  -0.498  -0.077  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1        2.677  -0.019  -0.593  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        3.044   1.143  -1.504  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.175   1.819  -0.749  0.00  0.00    +0.118 C 
BRANCH  18  24
ATOM     23  N   LIG    1        6.996   0.992   1.229  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        6.045   0.850   0.587  0.00  0.00    +0.169 C 
ENDBRANCH  18  24
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5