REMARK  Name = BDB063323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.313  -1.575  -0.401  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.211  -2.410   0.562  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.650  -2.787   0.517  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        1.771  -3.984   1.469  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        0.389  -4.598   1.424  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        0.155  -5.340   2.528  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1       -0.512  -3.374   1.385  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1        0.432  -1.253  -1.342  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -1.775  -0.991  -0.347  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1       -2.703  -2.001  -1.083  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -4.198  -1.664  -1.006  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -4.666  -1.403   0.420  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -3.797  -0.362   1.116  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -2.327  -0.787   1.095  0.00  0.00    +0.021 C 
BRANCH   9  18
ATOM     15  C   LIG    1       -1.354   2.908  -2.171  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1       -0.842   2.698  -0.945  0.00  0.00    -0.221 NA
ATOM     17  C   LIG    1       -1.018   1.463  -0.418  0.00  0.00    +0.119 A 
ATOM     18  C   LIG    1       -1.694   0.404  -1.040  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -2.174   0.670  -2.328  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -2.013   1.934  -2.897  0.00  0.00    +0.067 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -0.585   5.103  -1.942  0.00  0.00    +0.279 C 
ATOM     22  O   LIG    1       -1.215   4.139  -2.779  0.00  0.00    -0.480 OA
ENDBRANCH  15  22
ENDBRANCH   9  18
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.612  -1.639   0.935  0.00  0.00    +0.239 C 
ATOM     24  N   LIG    1        2.492  -0.524   0.130  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        1.857  -0.597  -0.662  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        3.421  -1.790   1.847  0.00  0.00    -0.273 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.149   0.701   0.297  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        3.996   0.879   1.323  0.00  0.00    -0.229 NA
ATOM     29  C   LIG    1        4.566   2.101   1.407  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1        4.309   3.128   0.512  0.00  0.00    +0.084 A 
ATOM     31  N   LIG    1        5.069   4.179   0.946  0.00  0.00    -0.275 N 
ATOM     32  H   LIG    1        5.137   5.104   0.537  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1        5.799   3.916   2.048  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        3.430   2.961  -0.551  0.00  0.00    +0.032 A 
ATOM     35  C   LIG    1        5.487   2.642   2.324  0.00  0.00    +0.162 A 
ATOM     36  C   LIG    1        2.845   1.696  -0.639  0.00  0.00    +0.046 A 
ENDBRANCH  24  27
ENDBRANCH   3  23
TORSDOF 5