REMARK  Name = BDB028206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.831  -0.488   0.210  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.364   0.257   0.257  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.606  -0.371   0.440  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.661  -1.755   0.563  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.968  -2.413   0.724  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.064  -1.586   0.724  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.975  -2.022   0.830  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.046  -0.230   0.624  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.060  -3.629   0.847  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.490  -2.516   0.522  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.895   0.365   0.500  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.744  -1.884   0.350  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.285   0.403  -1.101  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        3.065  -0.244  -0.937  0.00  0.00    +0.151 A 
ATOM     15  F   LIG    1        2.775  -1.293  -1.725  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1        2.131   0.177   0.019  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.514   1.276   0.786  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        3.692   1.935   0.658  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        4.551   1.484  -0.284  0.00  0.00    +0.132 A 
BRANCH  13  21
ATOM     20  N   LIG    1        6.024  -0.351  -2.857  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        5.232  -0.025  -2.075  0.00  0.00    +0.104 C 
ENDBRANCH  13  21
ENDBRANCH   1  16
BRANCH  11  22
ATOM     22  C   LIG    1       -2.906   1.889   0.412  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.686   2.296  -0.977  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -3.431   1.891  -1.549  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -2.816   3.306  -1.048  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 4