REMARK  Name = BDB059394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.089   0.660  -1.379  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.003   0.514  -0.161  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1        1.216   0.596   0.489  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.336   0.181   1.417  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.208   0.233   0.665  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -1.147   0.039   2.043  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1        0.023   0.087   2.699  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.298  -0.219   2.779  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -3.537  -0.283   2.135  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.647  -0.088   0.746  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.458   0.163   0.028  0.00  0.00    +0.026 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.946  -0.157   0.045  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1       -4.903  -0.656  -1.216  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -6.063  -0.745  -1.904  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -7.289  -0.353  -1.399  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -7.328   0.164  -0.111  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.146   0.265   0.621  0.00  0.00    +0.028 A 
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.457   0.530  -0.418  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.162   0.585  -1.407  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.380  -0.898  -0.215  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.118  -1.402   1.119  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.173  -1.711  -1.393  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.028  -0.247  -0.252  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.560   0.333   0.904  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.864   0.828   0.885  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.629   0.736  -0.279  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.097   0.145  -1.427  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.793  -0.353  -1.416  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5