REMARK  Name = BDB032603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.239   0.706   2.959  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -2.295  -0.223   2.376  0.00  0.00    +0.074 S 
ATOM      3  O   LIG    1       -1.909  -1.414   3.101  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -2.958  -0.697   0.788  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -3.589   0.233  -0.061  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -4.134  -0.243  -1.272  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -4.043  -1.590  -1.628  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.414  -2.494  -0.779  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.878  -2.053   0.429  0.00  0.00    +0.029 A 
BRANCH   5  10
ATOM     10  C   LIG    1       -3.734   1.701   0.264  0.00  0.00    +0.419 C 
ATOM     11  F   LIG    1       -3.968   2.457  -0.851  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -4.772   1.967   1.097  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -2.621   2.258   0.821  0.00  0.00    -0.166 F 
ENDBRANCH   5  10
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1       -0.935   0.659   1.994  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1       -1.030   1.657   2.167  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.156   0.171   1.298  0.00  0.00    +0.181 A 
ATOM     17  N   LIG    1        0.287  -1.082   0.866  0.00  0.00    -0.061 NA
ATOM     18  O   LIG    1        1.503  -1.133   0.213  0.00  0.00    -0.353 OA
ATOM     19  C   LIG    1        2.101   0.093   0.251  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        1.271   0.955   0.932  0.00  0.00    +0.097 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.401   0.210  -0.400  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.078   1.439  -0.425  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        5.324   1.561  -1.047  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.914   0.455  -1.653  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.258  -0.773  -1.638  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.012  -0.894  -1.016  0.00  0.00    +0.011 A 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5