REMARK  Name = BDB059378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.631  -1.213  -1.183  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.276  -0.282  -0.702  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.098   0.145   0.211  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.292  -2.122  -1.937  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.870   0.190   0.232  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.550   0.117  -0.219  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.033  -1.090  -0.703  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.856  -2.222  -0.759  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -4.184  -2.156  -0.323  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -5.050  -3.383  -0.346  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.680  -0.947   0.188  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.242   1.425   0.689  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -5.764   3.008   1.613  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -5.580   1.570   1.165  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        1.763  -0.650  -0.929  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        1.820  -1.507  -1.506  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.618  -0.947   0.534  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        1.857  -0.302   1.586  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.906  -2.363   0.528  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.115  -0.055   0.320  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        5.178  -0.362   1.159  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        5.058  -1.289   2.119  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        6.395   0.303   1.026  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        6.553   1.296   0.051  0.00  0.00    -0.048 A 
ATOM     25  C   LIG    1        7.872   1.990  -0.118  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.479   1.594  -0.799  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.258   0.926  -0.664  0.00  0.00    +0.032 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6