REMARK  Name = BDB054802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.102  -2.612   0.378  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -0.704  -3.388   1.220  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1       -0.131  -4.274   2.052  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -2.090  -3.270   1.218  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.699  -2.360   0.358  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.920  -1.569  -0.499  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -0.517  -1.698  -0.476  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        2.324  -1.383  -1.178  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.488  -2.196  -0.274  0.00  0.00    +0.218 C 
ATOM     10  N   LIG    1        1.496  -2.814   0.462  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1        1.785  -3.482   1.170  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.874  -2.696   0.106  0.00  0.00    +0.104 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.967  -1.739  -0.365  0.00  0.00    +0.089 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.993  -0.479   0.484  0.00  0.00    +0.164 C 
ATOM     15  O   LIG    1        4.499  -0.450   1.611  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.671   0.739  -0.049  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        6.513   0.698  -1.167  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        7.130   1.867  -1.623  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.912   3.078  -0.965  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.080   3.124   0.151  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.462   1.959   0.610  0.00  0.00    +0.011 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1       -2.571  -0.561  -1.420  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.887   0.750  -0.711  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -4.249   0.955  -0.099  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -5.284   0.037  -0.267  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -5.245  -0.476  -1.143  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -6.647   0.386   0.127  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -6.614   1.158   1.442  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -5.696   2.382   1.338  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -4.407   2.073   0.628  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -3.313   3.065   0.733  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -3.440   4.098   1.382  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -2.170   2.772   0.039  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -1.400   3.430   0.110  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -1.926   1.626  -0.650  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7