REMARK  Name = BDB023270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.218  -2.175   1.243  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.158  -1.005   1.588  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -2.253  -0.336   2.144  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -2.279   0.671   2.240  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.011  -0.162   1.432  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.073  -0.673   0.727  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.048   0.273   0.700  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.636   1.404   1.383  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.525   2.483   1.449  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.780   2.391   0.839  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.178   1.228   0.162  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.182   3.609   2.089  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.290   0.141   0.078  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.326   1.120   1.854  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.446   1.161  -0.459  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        6.628   1.896  -0.102  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        7.422   0.889  -0.951  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        8.594   0.452  -0.432  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        6.201  -0.026  -0.759  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  S   LIG    1       -3.723  -1.045   2.434  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -3.521  -2.116   3.384  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -4.636   0.038   2.731  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.219  -1.733   0.877  0.00  0.00    +0.154 A 
ATOM     24  C   LIG    1       -4.315  -0.928  -0.265  0.00  0.00    +0.196 A 
ATOM     25  O   LIG    1       -3.989   0.398  -0.162  0.00  0.00    -0.419 OA
ATOM     26  C   LIG    1       -4.441   1.159  -1.284  0.00  0.00    +0.509 C 
ATOM     27  C   LIG    1       -4.207   0.439  -2.616  0.00  0.00    +0.509 C 
ATOM     28  O   LIG    1       -4.824  -0.845  -2.665  0.00  0.00    -0.421 OA
ATOM     29  F   LIG    1       -2.877   0.257  -2.849  0.00  0.00    -0.155 F 
ATOM     30  F   LIG    1       -4.684   1.158  -3.665  0.00  0.00    -0.155 F 
ATOM     31  F   LIG    1       -3.785   2.349  -1.240  0.00  0.00    -0.155 F 
ATOM     32  F   LIG    1       -5.757   1.437  -1.084  0.00  0.00    -0.155 F 
ATOM     33  C   LIG    1       -4.716  -1.517  -1.474  0.00  0.00    +0.171 A 
ATOM     34  C   LIG    1       -5.047  -2.873  -1.526  0.00  0.00    +0.050 A 
ATOM     35  C   LIG    1       -4.955  -3.663  -0.382  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -4.537  -3.097   0.820  0.00  0.00    +0.033 A 
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 4