REMARK  Name = BDB042818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.293  -0.220   0.795  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        0.445   0.462  -0.389  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        1.851  -0.131  -0.550  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        2.060  -1.518  -0.108  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        3.305  -2.098  -0.329  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        4.361  -1.287  -0.950  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1        4.013  -0.002  -1.288  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        4.724   0.571  -1.734  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1        5.480  -1.746  -1.147  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        3.537  -3.427   0.025  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        2.497  -4.156   0.583  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        2.692  -5.441   0.907  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.247  -3.578   0.809  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        1.023  -2.232   0.501  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1        2.788   0.571  -1.122  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -0.256  -1.684   0.684  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1       -0.753  -2.147   1.446  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        0.502   1.978  -0.278  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        0.032   2.785  -1.319  0.00  0.00    +0.133 A 
ATOM     20  F   LIG    1       -0.500   2.224  -2.413  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        0.095   4.173  -1.255  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        0.650   4.771  -0.133  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        0.715   6.107  -0.061  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        1.141   4.007   0.915  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        1.068   2.620   0.831  0.00  0.00    +0.133 A 
ATOM     26  F   LIG    1        1.557   1.895   1.846  0.00  0.00    -0.205 F 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     27  C   LIG    1       -1.752   0.256   1.040  0.00  0.00    +0.029 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -2.713  -0.147  -1.330  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.952  -0.253   0.179  0.00  0.00    -0.036 C 
ATOM     30  C   LIG    1       -3.335  -1.706   0.520  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.171   0.634   0.530  0.00  0.00    +0.010 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 3