REMARK  Name = BDB059249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203   0.684   0.397  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.331   0.277  -0.292  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.343  -0.580  -0.842  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.233   1.562   1.254  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.373  -3.440  -0.904  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.323  -1.979  -0.563  0.00  0.00    -0.049 A 
ATOM      7  C   LIG    1       -3.490  -1.199  -0.617  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.478   0.177  -0.316  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.242   0.760   0.016  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -1.065   0.002   0.040  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -1.107  -1.369  -0.239  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.705   0.997  -0.357  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1       -4.547   2.266  -0.812  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -5.640   3.058  -0.868  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -6.906   2.652  -0.488  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -7.061   1.356  -0.018  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.950   0.516   0.051  0.00  0.00    +0.028 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        2.675   0.659   0.339  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.523   1.332   1.109  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.540  -0.683   0.960  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        3.108  -1.833   0.184  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.434  -0.669   2.401  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.195  -0.307   0.512  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        5.760   0.875   0.971  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        5.058   1.730   1.727  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        7.073   1.198   0.639  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.821   0.329  -0.156  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        7.254  -0.861  -0.617  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.937  -1.185  -0.284  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5