REMARK  Name = BDB014268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.440  -0.744   0.891  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1       -2.053  -0.295  -0.258  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1       -1.582   0.195  -1.013  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -3.391  -0.611  -0.243  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -3.637  -1.278   0.950  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -4.860  -1.740   1.302  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -5.839  -1.504   0.402  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -5.683  -0.848  -0.809  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -4.418  -0.377  -1.161  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -2.414  -1.360   1.657  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.139   0.334  -2.423  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -3.053   0.761  -2.769  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.232   0.475  -3.191  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -4.908   0.954  -3.982  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1        0.016  -0.541   1.155  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.583   0.041  -0.017  0.00  0.00    -0.486 OA
BRANCH  16  20
ATOM     17  C   LIG    1        4.646   0.994  -0.192  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        4.146   0.420   0.977  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        2.789   0.084   1.079  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        1.921   0.320   0.013  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        2.423   0.894  -1.156  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.776   1.229  -1.257  0.00  0.00    +0.049 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.870   1.138   0.635  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.941   1.367  -0.418  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6