REMARK  Name = BDB008864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.126  -0.107  -0.208  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.038   0.404  -1.494  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.058   1.224  -1.786  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.855   0.063  -2.505  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.936  -0.775  -2.225  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.142  -1.266  -0.925  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.222  -0.931   0.080  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.244   0.718   1.915  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.774   0.281   0.893  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.151   0.140   0.747  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.993   0.532   1.882  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.418   0.933   1.459  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        5.026  -0.110   0.592  0.00  0.00    -0.327 N 
ATOM     14  C   LIG    1        4.189  -0.410  -0.590  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        2.778  -0.843  -0.151  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.404   0.071   0.391  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        6.981   0.315  -0.866  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        8.364   0.479  -1.012  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        9.187   0.391   0.100  0.00  0.00    +0.124 A 
ATOM     20  F   LIG    1       10.510   0.546  -0.042  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        8.656   0.139   1.354  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        7.275  -0.022   1.494  0.00  0.00    +0.026 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.323  -2.157  -0.613  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.664  -1.537  -0.995  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.252  -0.452  -0.146  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.567   0.009   1.111  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.466   0.859   2.014  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.248   1.883   1.202  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.122   1.196   0.151  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.415   0.076  -0.564  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -7.069  -0.437  -1.793  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -8.139   0.010  -2.194  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.409  -1.442  -2.447  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.841  -1.808  -3.289  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.223  -1.992  -2.078  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4