REMARK  Name = BDB059392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.005  -1.964   0.439  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.041  -0.756   0.223  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.167   0.003   0.483  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.272   0.944   0.106  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.126  -0.030  -0.335  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.408  -0.414   0.079  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -3.559   0.227  -0.415  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.374   1.267  -1.345  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.098   1.642  -1.776  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.971   0.991  -1.277  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.902  -0.183   0.044  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -4.983  -0.571   1.343  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1       -6.190  -0.956   1.813  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -7.343  -0.981   1.050  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -7.253  -0.590  -0.279  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.020  -0.187  -0.791  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.475  -0.780   0.630  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.281  -1.787   0.752  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.544  -0.584  -0.693  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.060   0.510  -1.511  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.757  -1.905  -1.245  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.022  -0.073   0.108  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.041   1.151   0.763  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        3.953   1.932   0.810  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        6.202   1.587   1.396  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.349   0.792   1.367  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        7.332  -0.438   0.705  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.167  -0.875   0.070  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5