REMARK  Name = BDB016258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.728   2.133  -1.828  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.385   1.032  -0.999  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.478   0.730   0.056  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.602  -0.518   0.609  0.00  0.00    +0.149 A 
ATOM      5  C   LIG    1       -2.807  -1.222   0.779  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.760  -2.503   1.359  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.559  -3.065   1.789  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.375  -2.354   1.645  0.00  0.00    +0.011 A 
ATOM      9  N   LIG    1       -4.104  -0.783   0.447  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.864  -1.428   0.631  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.579   0.381  -0.064  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.797   0.490  -0.229  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.379  -1.085   1.050  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1       -3.668   1.528  -0.374  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.886  -0.334   0.923  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        2.030  -0.871   0.468  0.00  0.00    +0.008 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.284  -0.119   0.324  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1        4.498  -0.769   0.583  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        5.713  -0.096   0.430  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.727   1.230   0.004  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.528   1.883  -0.273  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.312   1.210  -0.120  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
ENDBRANCH  13  15
TORSDOF 2