REMARK  Name = BDB009447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.259  -0.789   3.243  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.622   0.047   4.291  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.292   0.511   5.154  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.948   0.438   4.441  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.913  -0.011   3.534  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.558  -0.849   2.463  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.220  -1.254   2.337  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        3.986   2.120  -1.577  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        4.099   0.923  -1.296  0.00  0.00    +0.267 C 
ATOM     10  N   LIG    1        3.483   0.409  -0.148  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1        2.601   1.286   0.622  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        1.441   0.517   1.267  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        1.891  -0.619   2.082  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        1.141  -1.208   3.095  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        1.561  -2.083   3.846  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.262  -1.083   1.863  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        3.712  -0.934   0.401  0.00  0.00    +0.127 C 
BRANCH   9  18
ATOM     18  C   LIG    1        4.887   0.037  -2.187  0.00  0.00    +0.147 A 
ATOM     19  N   LIG    1        4.884  -1.310  -2.149  0.00  0.00    -0.169 NA
ATOM     20  N   LIG    1        5.691  -1.682  -3.155  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        5.823  -2.674  -3.324  0.00  0.00    +0.188 HD
ATOM     22  C   LIG    1        6.230  -0.638  -3.839  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        5.724   0.492  -3.247  0.00  0.00    +0.054 A 
ENDBRANCH   9  18
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1       -3.619  -1.350   1.507  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.218  -1.248   0.037  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -3.402   0.046  -0.693  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -3.950   1.258   0.007  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -3.776   2.553  -0.794  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.117   2.342  -2.264  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.227   1.262  -2.883  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -3.058   0.061  -1.993  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -2.489  -1.155  -2.627  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1       -2.150  -1.171  -3.805  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1       -2.364  -2.250  -1.815  0.00  0.00    -0.243 N 
ATOM     35  H   LIG    1       -1.978  -3.092  -2.228  0.00  0.00    +0.192 HD
ATOM     36  N   LIG    1       -2.724  -2.321  -0.505  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4