REMARK  Name = BDB021974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.215   0.358  -0.858  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -3.021   0.791  -1.748  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -2.172   0.382   0.042  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.989   0.709  -0.595  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.926   0.414  -1.559  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -2.237   0.167   1.245  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -6.344  -0.921   0.757  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -4.995  -0.578   0.586  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -4.554  -0.007  -0.612  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.474   0.204  -1.647  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -6.817  -0.138  -1.485  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.251  -0.699  -0.286  0.00  0.00    +0.011 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.915  -1.688   3.191  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1       -6.854  -1.527   2.024  0.00  0.00    +0.160 C 
ATOM     15  O   LIG    1       -8.028  -1.887   2.099  0.00  0.00    -0.292 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  C   LIG    1        0.271   0.757   0.145  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1        1.289   1.612  -0.619  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.715   1.191  -0.278  0.00  0.00    +0.086 C 
ATOM     19  N   LIG    1        2.993  -0.189  -0.710  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1        1.836  -1.089  -0.592  0.00  0.00    +0.086 C 
ATOM     21  C   LIG    1        0.814  -0.648   0.452  0.00  0.00    +0.038 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.181  -0.741  -0.032  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.459   0.013  -0.336  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        5.934   0.104  -1.653  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        7.116   0.791  -1.935  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.836   1.391  -0.903  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.375   1.306   0.409  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.193   0.620   0.693  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  16
TORSDOF 5