REMARK  Name = BDB060800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.041   0.570  -0.989  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1        0.008  -0.144  -0.077  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.938  -0.850  -1.084  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1       -2.419  -0.570  -1.004  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -3.103  -1.739  -0.667  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.471  -1.780  -0.501  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -5.178  -0.592  -0.695  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.508   0.591  -1.056  0.00  0.00    +0.000 A 
ATOM      9  N   LIG    1       -2.220  -2.800  -0.559  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -2.469  -3.757  -0.357  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -3.120   0.607  -1.220  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -0.915  -2.404  -0.824  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1        0.050  -3.150  -0.888  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -0.412  -0.567  -2.443  0.00  0.00    -0.288 NA
ATOM     15  H   LIG    1       -0.539  -1.379  -3.052  0.00  0.00    +0.124 HD
ATOM     16  C   LIG    1        1.045  -0.288  -2.265  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        3.252  -0.216   0.088  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        2.382   0.817  -0.314  0.00  0.00    -0.000 A 
ATOM     19  C   LIG    1        2.757   2.151  -0.064  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        3.967   2.453   0.558  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.822   1.428   0.942  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.467   0.098   0.708  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        3.617  -2.569   0.320  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        2.829  -1.490  -0.166  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  18
BRANCH   2  25
ATOM     25  C   LIG    1       -0.657   0.772   0.911  0.00  0.00    +0.174 A 
ATOM     26  C   LIG    1       -1.246   0.616   2.151  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -1.677   1.917   2.514  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -2.380   2.374   3.737  0.00  0.00    +0.071 C 
ATOM     29  N   LIG    1       -1.374   2.802   1.557  0.00  0.00    -0.081 NA
ATOM     30  O   LIG    1       -0.744   2.088   0.563  0.00  0.00    -0.357 OA
BRANCH  26  31
ATOM     31  N   LIG    1       -1.392  -0.598   2.886  0.00  0.00    +0.062 N 
ATOM     32  O   LIG    1       -1.844  -0.512   4.034  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1       -1.065  -1.648   2.322  0.00  0.00    -0.126 OA
ENDBRANCH  26  31
ENDBRANCH   2  25
BRANCH  16  34
ATOM     34  C   LIG    1        1.745   0.415  -3.444  0.00  0.00    +0.405 C 
ATOM     35  F   LIG    1        1.626  -0.325  -4.574  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        1.213   1.632  -3.698  0.00  0.00    -0.169 F 
ATOM     37  F   LIG    1        3.067   0.584  -3.221  0.00  0.00    -0.169 F 
ENDBRANCH  16  34
TORSDOF 5