REMARK  Name = BDB059304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.296   0.743   0.228  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.500   0.570  -0.432  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.587  -0.136  -1.167  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.245   1.289   1.329  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.367   0.009  -0.399  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -2.173   0.465   0.188  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -0.936   0.234  -0.432  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.907  -0.464  -1.641  0.00  0.00    +0.139 A 
ATOM      9  F   LIG    1        0.260  -0.700  -2.262  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.082  -0.939  -2.236  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -2.017  -1.665  -3.548  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.315  -0.690  -1.614  0.00  0.00    +0.034 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.359   1.706   2.994  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.941   1.016   1.751  0.00  0.00    +0.060 A 
ATOM     15  N   LIG    1       -4.648   0.954   1.420  0.00  0.00    -0.172 NA
ATOM     16  N   LIG    1       -4.608   0.266   0.252  0.00  0.00    -0.240 N 
ATOM     17  C   LIG    1       -5.875  -0.099  -0.150  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1       -6.752   0.371   0.798  0.00  0.00    +0.044 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        2.761   0.771   0.427  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.492   1.172   1.341  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.632  -0.675   0.715  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.420  -1.033   2.100  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        3.326  -1.591  -0.368  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.301  -0.114   0.517  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        5.831   0.017  -0.770  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.151   0.439  -0.929  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.934   0.719   0.192  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.404   0.575   1.476  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.084   0.153   1.643  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5