REMARK  Name = BDB018497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.340  -1.295   0.044  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -1.375  -0.977   0.894  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -2.088   0.058   0.314  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1       -1.563   0.384  -0.895  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.521  -0.438  -1.052  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.110  -1.974   0.060  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        0.683  -2.275   0.277  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.363  -3.510   0.714  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.310  -4.491   0.956  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.858  -5.795   1.414  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.668  -4.273   0.765  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        3.551  -5.103   0.956  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.041  -2.917   0.296  0.00  0.00    +0.079 A 
BRANCH   6  17
ATOM     14  C   LIG    1        3.505   1.865  -1.259  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        2.982   1.711   0.025  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.549   0.454   0.462  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.627  -0.660  -0.384  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        3.168  -0.505  -1.666  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.607   0.750  -2.094  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        3.689   4.227  -1.080  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.955   3.033  -1.808  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   6  17
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  C   LIG    1       -3.268   0.681   0.821  0.00  0.00    +0.076 A 
ATOM     23  C   LIG    1       -3.680   1.998   0.495  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.892   2.459   1.069  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -5.665   1.675   1.926  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.245   0.397   2.247  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.058  -0.095   1.705  0.00  0.00    +0.028 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -2.962   3.015  -0.293  0.00  0.00    +0.181 A 
ATOM     29  N   LIG    1       -2.082   2.815  -1.319  0.00  0.00    -0.239 N 
ATOM     30  H   LIG    1       -1.731   1.934  -1.682  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.647   3.979  -1.817  0.00  0.00    -0.046 NA
ATOM     32  N   LIG    1       -2.270   4.904  -1.107  0.00  0.00    -0.023 NA
ATOM     33  N   LIG    1       -3.088   4.329  -0.168  0.00  0.00    -0.108 NA
ENDBRANCH  23  28
ENDBRANCH   3  22
TORSDOF 5