REMARK  Name = BDB058852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.177  -2.145   0.167  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -2.151  -0.940  -0.074  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.987  -0.198   0.015  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.906   0.732  -0.391  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.386  -0.212  -0.461  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -4.610  -0.688   0.028  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -5.811  -0.050  -0.300  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -5.780   1.068  -1.135  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.563   1.536  -1.641  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.366   0.898  -1.311  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -6.921  -0.617   0.256  0.00  0.00    -0.406 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -8.181  -0.035  -0.033  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1       -9.142  -0.738   0.605  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -8.236   1.242   0.402  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1       -8.441  -0.071  -1.357  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        0.319  -1.008   0.028  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        0.102  -2.013   0.126  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.259  -0.793  -1.388  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        0.908   0.503  -1.938  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        1.147  -2.007  -2.163  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.890  -0.693  -0.707  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        3.336   0.522  -0.175  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.632   0.626   0.351  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        5.484  -0.505   0.329  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        6.781  -0.397   0.856  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.232   0.808   1.397  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.395   1.920   1.417  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.019  -1.711  -0.222  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        5.103   1.830   0.897  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        3.728  -1.808  -0.743  0.00  0.00    +0.029 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 6