REMARK  Name = BDB060562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.421  -0.832  -0.131  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -0.068  -1.111   0.146  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1        0.498  -2.304  -0.317  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.267  -3.220  -1.042  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.601  -2.950  -1.320  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.174  -1.762  -0.873  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.068   0.460   0.321  0.00  0.00    +0.162 C 
BRANCH   7  10
ATOM      8  C   LIG    1       -1.905  -0.488   3.256  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.153  -0.202   2.510  0.00  0.00    +0.036 A 
ATOM     10  N   LIG    1       -3.212   0.239   1.202  0.00  0.00    -0.323 N 
ATOM     11  C   LIG    1       -4.547   0.437   0.887  0.00  0.00    +0.141 A 
ATOM     12  N   LIG    1       -5.313   0.055   1.893  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -4.468  -0.323   2.897  0.00  0.00    +0.134 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.065   0.949  -0.381  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -5.917   0.146  -1.153  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -6.431   0.618  -2.362  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -6.103   1.899  -2.790  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       -6.595   2.354  -3.949  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -5.279   2.720  -2.028  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -4.764   2.248  -0.818  0.00  0.00    +0.014 A 
ENDBRANCH  11  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  O   LIG    1        0.608  -0.151   0.849  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.890  -0.461   1.397  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.997  -0.041   0.430  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.382  -0.331   1.012  0.00  0.00    +0.007 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.569   0.059   0.107  0.00  0.00    -0.003 C 
ATOM     26  C   LIG    1        5.587  -0.760  -1.187  0.00  0.00    +0.008 C 
BRANCH  25  27
ATOM     27  C   LIG    1        5.591   1.565  -0.188  0.00  0.00    +0.123 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.922   2.018  -0.720  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        7.179   2.295  -1.879  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.868   2.091   0.235  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        8.668   2.391  -0.246  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 11