REMARK  Name = BDB042807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402   0.302   0.660  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1       -0.515   0.609  -0.522  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -1.952   0.344  -0.339  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -2.822   0.699  -1.364  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.263   1.275  -2.594  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -0.897   1.434  -2.620  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -0.492   1.846  -3.456  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -2.986   1.586  -3.533  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -4.196   0.516  -1.214  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -4.671  -0.009  -0.020  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -5.990  -0.170   0.150  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.803  -0.371   1.011  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.420  -0.236   0.849  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -1.558  -0.548   1.913  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1       -1.946  -1.258   2.534  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -0.032   1.138  -1.609  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -0.187  -0.846   1.491  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1        4.521  -0.544  -0.426  0.00  0.00    +0.087 A 
ATOM     19  C   LIG    1        3.484  -1.294  -0.970  0.00  0.00    +0.141 A 
ATOM     20  F   LIG    1        3.742  -2.289  -1.831  0.00  0.00    -0.204 F 
ATOM     21  C   LIG    1        2.157  -1.034  -0.632  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        1.843  -0.002   0.267  0.00  0.00    -0.034 A 
ATOM     23  C   LIG    1        2.892   0.753   0.816  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.222   0.485   0.472  0.00  0.00    +0.022 A 
BRANCH  18  26
ATOM     25  N   LIG    1        6.991  -1.028  -1.040  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        5.878  -0.823  -0.779  0.00  0.00    +0.102 C 
ENDBRANCH  18  26
ENDBRANCH   1  22
TORSDOF 2