REMARK  Name = BDB013681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.293  -0.168   0.041  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.079   0.403  -0.775  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.604  -0.231   0.462  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        2.510   0.914   0.179  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.848   0.786   0.530  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.752   1.826   0.270  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.308   3.002  -0.334  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.963   3.143  -0.670  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.308  -0.442   1.198  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        5.500  -0.569   1.471  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.332  -1.386   1.489  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        3.700  -2.628   2.141  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        2.063   2.105  -0.413  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.025  -1.292   1.092  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.603  -1.325   0.103  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.946  -1.037  -0.652  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.903  -0.305   0.296  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -4.043  -0.968   0.783  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.925  -0.324   1.654  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.680   0.988   2.052  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.555   1.659   1.579  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.673   1.018   0.707  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1       -0.924  -1.121  -2.880  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1       -1.739  -0.314  -1.956  0.00  0.00    -0.300 NA
ATOM     25  C   LIG    1       -3.025  -0.034  -2.616  0.00  0.00    +0.105 C 
ENDBRANCH  16  24
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5