REMARK  Name = BDB016484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.056  -4.092  -1.862  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -2.285  -2.808  -1.131  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.577  -2.442   0.009  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.846  -1.299   0.659  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.774  -0.478   0.136  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.490  -0.731  -0.970  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -3.229  -1.901  -1.574  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.036   0.776   0.859  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.947   2.061   0.263  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -3.270   3.195   1.040  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.636   3.079   2.380  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.690   1.827   2.976  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.394   0.692   2.223  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -2.511   2.252  -1.189  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -1.374   3.272  -1.332  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.701   2.641  -2.069  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1       -0.605  -3.319   0.522  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.006  -3.618  -0.232  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.176  -2.840   1.659  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.406  -2.090   1.196  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.567  -2.781   0.827  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.695  -2.087   0.376  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        3.694  -0.686   0.275  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        2.523  -0.003   0.642  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.395  -0.694   1.094  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.878   0.043  -0.200  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.528  -0.299  -1.390  0.00  0.00    +0.122 A 
ATOM     28  N   LIG    1        6.625   0.325  -1.885  0.00  0.00    -0.227 NA
ATOM     29  C   LIG    1        7.105   1.353  -1.159  0.00  0.00    +0.213 A 
ATOM     30  F   LIG    1        8.189   1.988  -1.624  0.00  0.00    -0.184 F 
ATOM     31  C   LIG    1        6.546   1.785   0.030  0.00  0.00    +0.060 A 
ATOM     32  C   LIG    1        5.420   1.121   0.513  0.00  0.00    +0.014 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6