REMARK  Name = BDB032818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.233   0.121  -0.125  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.191  -0.104  -1.019  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.958   0.469  -2.065  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.393  -1.210  -0.481  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.037  -1.695   0.653  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.497  -2.749   1.365  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.293  -3.304   0.912  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.353  -2.816  -0.249  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.208  -1.742  -0.954  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.301  -0.936   0.882  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.331   3.790   2.595  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.409   3.053   1.616  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.377   2.085   1.542  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.006   2.039   2.333  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.420   1.013   0.682  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.173   0.068   0.914  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.375   0.987  -0.445  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.974   2.432  -0.764  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.419   3.112   0.478  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.658  -3.422  -0.701  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.725  -2.894   0.097  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.409  -1.855  -0.448  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.358  -1.450   0.447  0.00  0.00    -0.244 N 
ATOM     24  H   LIG    1        4.402  -1.946   1.325  0.00  0.00    +0.159 HD
ATOM     25  O   LIG    1        3.192  -1.383  -1.554  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        5.221  -0.413   0.218  0.00  0.00    +0.095 A 
ATOM     27  S   LIG    1        6.324  -0.059   1.460  0.00  0.00    +0.027 S 
ATOM     28  N   LIG    1        7.065   1.199   0.679  0.00  0.00    -0.205 NA
ATOM     29  C   LIG    1        6.494   1.371  -0.524  0.00  0.00    +0.154 A 
ATOM     30  C   LIG    1        5.421   0.456  -0.826  0.00  0.00    +0.065 A 
BRANCH  29  31
ATOM     31  C   LIG    1        6.979   2.456  -1.444  0.00  0.00    +0.435 C 
ATOM     32  F   LIG    1        8.294   2.319  -1.761  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1        6.826   3.697  -0.910  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        6.301   2.463  -2.625  0.00  0.00    -0.164 F 
ENDBRANCH  29  31
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6