REMARK  Name = BDB020856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826   0.728   0.283  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.059   1.815  -0.237  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.309   1.738  -0.126  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.790   2.870  -0.716  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.792   3.607  -1.148  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.978   0.661   0.468  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.277  -0.341   0.926  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.374   2.940  -0.851  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.098  -0.278   0.822  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.121   0.389   0.405  0.00  0.00    -0.177 NA
ATOM     11  C   LIG    1        4.396  -0.567  -0.468  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1        2.951  -0.692   0.023  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1        2.297   0.657   0.233  0.00  0.00    -0.037 C 
ATOM     14  C   LIG    1        3.076   1.754   0.324  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        4.578   1.765   0.269  0.00  0.00    +0.136 C 
BRANCH  10  17
ATOM     16  O   LIG    1        7.360   1.329   1.177  0.00  0.00    -0.158 OA
ATOM     17  S   LIG    1        6.818   0.348   0.261  0.00  0.00    +0.035 S 
ATOM     18  O   LIG    1        7.134   0.392  -1.151  0.00  0.00    -0.158 OA
BRANCH  17  19
ATOM     19  C   LIG    1        7.341  -1.264   0.920  0.00  0.00    +0.148 C 
ATOM     20  C   LIG    1        7.638  -2.332  -0.098  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1        8.769  -1.614   0.589  0.00  0.00    +0.029 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.356   0.686   0.543  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.804   1.595   0.550  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.076  -0.293   1.341  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.542  -0.197   1.037  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.098  -0.733  -0.120  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.469  -1.525  -1.205  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.604  -1.490  -2.228  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.851  -1.229  -1.543  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.460  -0.631  -0.374  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.326   0.002   0.494  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.789   0.565   1.652  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.415   0.466   1.909  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.932   1.029   3.026  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6