REMARK  Name = BDB064227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.871  -0.156   0.204  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.650   1.078  -0.401  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.471   1.316  -1.097  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.588   2.099  -0.279  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.772   1.875   0.427  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -3.039   0.621   1.002  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -2.069  -0.389   0.894  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.265  -0.688   0.547  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        3.834  -1.925   0.063  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        4.628  -2.795  -0.300  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        2.323  -2.220   0.111  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        1.432  -1.082   0.330  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        0.082  -1.272   0.054  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.379  -2.353  -0.308  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.964  -0.049   1.212  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.320   0.417   0.692  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.689  -0.359   0.441  0.00  0.00    +0.123 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.084   0.159  -0.960  0.00  0.00    +0.102 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.353  -0.702  -1.147  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        7.502   0.485  -1.188  0.00  0.00    -0.307 NA
ATOM     21  C   LIG    1        8.001   1.521  -0.290  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -4.329   0.360   1.756  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.534   0.707   1.001  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -6.033  -0.146  -0.033  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -7.178   0.231  -0.746  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -7.701  -0.567  -1.774  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.077  -1.766  -2.103  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.940  -2.161  -1.407  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -7.848   1.495  -0.407  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -8.843   1.886  -1.006  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -7.292   2.212   0.614  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -7.736   3.087   0.847  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -5.423  -1.360  -0.380  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -6.164   1.902   1.317  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -5.759   2.686   2.174  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6