REMARK  Name = BDB032904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.902  -0.462  -0.326  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        0.234  -1.065   0.128  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        0.518   0.780  -0.772  0.00  0.00    +0.253 C 
ATOM      4  O   LIG    1        1.237   1.599  -1.333  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.930   1.128  -0.572  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -1.762   0.559   0.418  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -3.104   0.961   0.488  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.611   1.927  -0.387  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.787   2.502  -1.346  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.455   2.106  -1.437  0.00  0.00    +0.017 A 
BRANCH   6  11
ATOM     11  O   LIG    1       -1.207  -0.376   1.253  0.00  0.00    -0.405 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.889  -0.681   2.464  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1       -2.185   0.434   3.160  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -3.015  -1.379   2.211  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1       -1.078  -1.454   3.218  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   1  18
ATOM     16  C   LIG    1        4.042  -2.423  -0.233  0.00  0.00    +0.166 A 
ATOM     17  S   LIG    1        2.399  -2.494   0.218  0.00  0.00    -0.030 S 
ATOM     18  C   LIG    1        2.181  -0.930  -0.439  0.00  0.00    +0.167 A 
ATOM     19  N   LIG    1        3.236  -0.364  -0.967  0.00  0.00    -0.231 NA
ATOM     20  C   LIG    1        4.315  -1.223  -0.850  0.00  0.00    +0.152 A 
BRANCH  16  22
ATOM     21  O   LIG    1        6.141  -3.310  -0.366  0.00  0.00    -0.143 OA
ATOM     22  N   LIG    1        4.987  -3.518   0.025  0.00  0.00    -0.022 NA
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 5