REMARK  Name = BDB031042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.325   1.757  -1.438  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1        3.780   2.450  -2.542  0.00  0.00    +0.167 A 
ATOM      3  F   LIG    1        5.044   2.394  -2.980  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        2.866   3.247  -3.186  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        1.581   3.377  -2.800  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.201   2.671  -1.721  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        2.039   1.889  -1.023  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1        8.592  -3.118   1.312  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1        7.514  -2.176   0.906  0.00  0.00    +0.076 A 
ATOM     10  S   LIG    1        7.460  -1.577  -0.701  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        6.051  -0.665  -0.313  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        5.721  -0.889   1.022  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        4.589  -0.245   1.548  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        3.830   0.605   0.730  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.162   0.849  -0.616  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.292   0.188  -1.140  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        6.564  -1.749   1.706  0.00  0.00    -0.244 NA
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -0.119   2.862  -1.324  0.00  0.00    -0.268 N 
ATOM     19  H   LIG    1       -0.576   3.397  -2.047  0.00  0.00    +0.156 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -0.965   1.932  -0.703  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -0.590   0.647  -0.529  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1       -1.443  -0.197   0.104  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -2.699   0.176   0.547  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -3.081   1.504   0.390  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1       -2.206   2.387  -0.244  0.00  0.00    +0.044 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.547  -0.811   1.240  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1       -4.889  -0.929   0.870  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1       -5.680  -1.916   1.611  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -7.193  -1.677   1.471  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -7.630  -1.563   0.069  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1       -8.621  -1.327   0.046  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.859  -0.507  -0.605  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1       -5.339  -0.728  -0.515  0.00  0.00    +0.123 C 
ATOM     34  O   LIG    1       -3.031  -1.468   2.140  0.00  0.00    -0.270 OA
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4