REMARK  Name = BDB009147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.471  -1.270   0.431  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.598  -1.863  -0.499  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.659  -2.369  -0.120  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1       -1.038  -2.273   1.225  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.185  -1.692   2.163  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.058  -1.196   1.769  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.377   1.121  -0.111  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        3.140   0.594   0.290  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.776  -0.736   0.009  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        3.692  -1.536  -0.689  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.925  -1.023  -1.091  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.266   0.300  -0.803  0.00  0.00    +0.023 A 
BRANCH   7  15
ATOM     13  C   LIG    1        5.694   4.614   0.446  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.774   3.203  -0.082  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        4.642   2.467   0.221  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        3.913   2.947   0.733  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.750   2.828  -0.721  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -1.577  -2.955  -1.181  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -2.313  -4.223  -0.729  0.00  0.00    +0.013 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.513  -1.895  -1.798  0.00  0.00    +0.065 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.456  -1.228  -0.798  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1       -3.168   0.157  -0.304  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -2.065   0.985  -0.899  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.095   2.455  -0.465  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.402   2.583   1.021  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.755   1.950   1.352  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.951   0.614   0.690  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.089  -0.203   1.178  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.821   0.182   2.084  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.285  -1.397   0.539  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -6.059  -1.971   0.856  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -4.473  -1.936  -0.408  0.00  0.00    -0.176 NA
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5