REMARK  Name = BDB018620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.077  -0.057   1.329  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.011  -0.797   2.503  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.794  -0.392   3.513  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.693  -1.988   2.632  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.506  -2.431   1.586  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.635  -1.676   0.406  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.900  -0.486   0.281  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  16
ATOM      8  C   LIG    1       -3.525  -0.154  -1.308  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1       -4.032   0.082   0.116  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -4.712   1.360   0.224  0.00  0.00    -0.300 N 
ATOM     11  C   LIG    1       -4.093   2.491   0.695  0.00  0.00    +0.152 A 
ATOM     12  N   LIG    1       -4.961   3.477   0.697  0.00  0.00    -0.132 NA
ATOM     13  N   LIG    1       -6.153   2.989   0.221  0.00  0.00    -0.122 NA
ATOM     14  C   LIG    1       -2.677   2.529   1.150  0.00  0.00    +0.184 C 
ATOM     15  N   LIG    1       -2.021   1.220   1.045  0.00  0.00    -0.288 N 
ATOM     16  C   LIG    1       -0.637   1.220   1.200  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        0.046   2.241   1.202  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -6.008   1.706  -0.068  0.00  0.00    +0.242 A 
ATOM     19  C   LIG    1       -2.875   0.030   1.129  0.00  0.00    +0.133 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -7.093   0.919  -0.596  0.00  0.00    +0.375 C 
ATOM     21  O   LIG    1       -8.241   1.264  -0.836  0.00  0.00    -0.242 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -6.742  -0.366  -0.841  0.00  0.00    -0.475 OA
ATOM     23  H   LIG    1       -7.581  -0.734  -1.195  0.00  0.00    +0.296 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  16
BRANCH   6  24
ATOM     24  C   LIG    1        2.508  -2.190  -0.719  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.269  -1.105  -1.469  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        4.466  -0.474  -0.855  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        5.116   0.510  -1.598  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        6.250   1.154  -1.090  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        6.736   0.811   0.171  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.090  -0.172   0.919  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.596   0.868  -2.927  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1        5.143   1.716  -3.622  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        3.473   0.193  -3.338  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        3.100   0.431  -4.253  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        4.957  -0.816   0.411  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1        2.816  -0.772  -2.643  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5