REMARK  Name = BDB059357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.302  -0.098  -1.111  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.828  -0.543  -0.444  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.807  -0.578   0.578  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.234   0.468  -2.200  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -3.212  -2.518   2.228  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.029  -1.468   1.171  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -4.088  -0.613   0.836  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -3.917   0.382  -0.139  0.00  0.00    +0.087 A 
ATOM      9  C   LIG    1       -2.676   0.533  -0.773  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.606  -0.298  -0.422  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.786  -1.300   0.544  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -5.000   1.234  -0.481  0.00  0.00    -0.150 N 
ATOM     13  N   LIG    1       -4.883   2.217  -1.415  0.00  0.00    -0.156 NA
ATOM     14  C   LIG    1       -6.103   2.757  -1.415  0.00  0.00    +0.156 A 
ATOM     15  C   LIG    1       -6.915   2.095  -0.493  0.00  0.00    +0.156 A 
ATOM     16  N   LIG    1       -6.225   1.124   0.108  0.00  0.00    -0.156 NA
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        2.167  -0.009  -1.011  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        1.982   0.553  -1.860  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.024   0.982   0.103  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.503   0.653   1.415  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.974   2.316  -0.451  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.672   0.385   0.005  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.673   1.161   0.573  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        5.388   2.312   1.197  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        7.002   0.747   0.516  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.327  -0.455  -0.114  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.321  -1.239  -0.682  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.989  -0.823  -0.625  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5