REMARK  Name = BDB000906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.909  -1.099   0.189  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1       -1.452   0.118   1.249  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        0.144   0.327   1.828  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.995  -0.544   1.176  0.00  0.00    +0.052 A 
ATOM      5  N   LIG    1        0.377  -1.356   0.238  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1   8
ATOM      6  O   LIG    1       -3.469  -2.526  -1.797  0.00  0.00    -0.252 OA
ATOM      7  C   LIG    1       -3.061  -1.741  -0.941  0.00  0.00    +0.310 C 
ATOM      8  N   LIG    1       -1.729  -1.780  -0.667  0.00  0.00    -0.248 N 
ATOM      9  H   LIG    1       -1.237  -2.468  -1.221  0.00  0.00    +0.158 HD
ATOM     10  N   LIG    1       -3.840  -0.852  -0.260  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -3.357  -0.274   0.410  0.00  0.00    +0.156 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -5.229  -0.635  -0.373  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -5.787   0.351   0.452  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -7.162   0.646   0.409  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -7.982  -0.076  -0.467  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -7.434  -1.058  -1.290  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.065  -1.334  -1.244  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -7.745   1.694   1.322  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -8.098   1.187   2.534  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -8.867   2.283   0.820  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -6.878   2.713   1.583  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1        2.468  -0.682   1.386  0.00  0.00    +0.074 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.272   0.114   0.354  0.00  0.00    +0.109 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.701  -0.042   0.612  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1        5.022  -1.005   0.674  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.541   0.702  -0.224  0.00  0.00    +0.136 A 
ATOM     27  C   LIG    1        6.859   0.307  -0.498  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        7.651   1.097  -1.326  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1        8.957   0.553  -1.502  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        9.134  -0.625  -0.815  0.00  0.00    +0.048 A 
ATOM     31  N   LIG    1        7.206   2.246  -1.887  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1        5.944   2.548  -1.569  0.00  0.00    +0.223 A 
ATOM     33  S   LIG    1        7.728  -1.080   0.043  0.00  0.00    -0.092 S 
ATOM     34  N   LIG    1        5.107   1.851  -0.787  0.00  0.00    -0.220 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7