REMARK  Name = BDB028815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.345  -0.733   1.174  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1        4.327  -0.246  -1.774  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1        3.402   0.046  -1.022  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1        2.208   0.506  -1.516  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1        2.161   0.607  -2.521  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        1.136   1.004  -0.815  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1        0.199   1.538  -1.407  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1        1.165   0.843   0.698  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1        2.609   0.891   1.198  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1        3.503  -0.107   0.475  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1       -1.350  -0.369   0.723  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.005  -1.008  -0.347  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -3.347  -0.670  -0.618  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.024   0.271   0.156  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.376   0.887   1.219  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.048   0.566   1.504  0.00  0.00    +0.015 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -1.324  -2.046  -1.204  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -1.007  -3.178  -0.515  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -0.163  -1.611  -1.772  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.094  -2.470  -2.251  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   1  11
TORSDOF 3