REMARK  Name = BDB001067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.277   0.314  -0.043  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.252   1.645   0.362  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.701   2.483  -0.069  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.230   2.135   1.222  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.257   1.296   1.659  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.325  -0.037   1.224  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.317  -0.525   0.378  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1       -4.999  -0.156  -0.052  0.00  0.00    -0.299 NA
ATOM      9  C   LIG    1       -4.451  -0.038  -1.421  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -3.049  -0.640  -1.633  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1       -2.074  -0.156  -0.657  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -0.726  -0.228  -0.977  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.303  -0.765  -2.001  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.614   0.210   0.658  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1       -3.957  -0.490   0.938  0.00  0.00    +0.103 C 
BRANCH   8  16
ATOM     16  C   LIG    1       -6.134  -1.082   0.046  0.00  0.00    +0.084 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.901   0.758  -0.007  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -7.418  -0.555  -0.610  0.00  0.00    +0.012 C 
ENDBRANCH  16  18
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  C   LIG    1        3.444  -0.949   1.678  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.831  -0.349   1.486  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        5.449  -0.313   0.135  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        6.714   0.262   0.030  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        7.365   0.339  -1.208  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        6.743  -0.163  -2.349  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.477  -0.739  -2.252  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.365   0.791   1.239  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1        8.478   1.302   1.196  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        6.655   0.674   2.409  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1        7.091   1.032   3.253  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        4.830  -0.818  -1.015  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1        5.420   0.124   2.546  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 5