REMARK  Name = BDB028231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.813   0.687  -0.189  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -3.094   0.170  -0.465  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -4.218   1.006  -0.516  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -4.069   2.368  -0.279  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.256   3.238  -0.306  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.455   2.617  -0.559  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.286   3.201  -0.579  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -6.635   1.292  -0.810  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.169   4.445  -0.110  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.808   2.906  -0.008  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.590   0.515  -0.805  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.691   2.069   0.033  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.639  -0.756  -0.761  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        0.537   0.095  -0.843  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.637  -0.195  -0.133  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.627  -1.368   0.626  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        0.416  -2.230   0.710  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.526  -1.905   0.009  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        2.741  -0.429  -1.512  0.00  0.00    -0.454 OA
BRANCH  19  22
ATOM     20  C   LIG    1        5.627  -0.417   0.793  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        4.348  -0.170   0.288  0.00  0.00    +0.091 A 
ATOM     22  C   LIG    1        3.977  -0.675  -0.961  0.00  0.00    +0.132 A 
ATOM     23  C   LIG    1        4.890  -1.392  -1.730  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.167  -1.640  -1.229  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        6.534  -1.157   0.032  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.147  -0.114   2.597  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.865   0.121   2.029  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -5.821  -0.963  -1.105  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.771  -1.722   0.146  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -6.030  -2.690  -0.046  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -6.504  -1.366   0.765  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6