REMARK  Name = BDB016353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.817   2.169   2.884  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.566   1.371   1.811  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.588   0.615   1.044  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.701   1.111   0.958  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.957   0.043  -0.192  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.276  -0.334  -0.548  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.520  -0.881  -1.824  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.494  -1.119  -2.730  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.190  -0.822  -2.370  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.441  -0.226   0.241  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.315  -0.475  -0.205  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.654   0.095   1.541  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.816   0.082   1.960  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.898  -0.259  -1.113  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.521   0.398   2.465  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.478   0.009  -0.804  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        0.217   1.040  -1.459  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        1.556   1.300  -1.161  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.218   0.518  -0.213  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        1.540  -0.497   0.466  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        0.201  -0.753   0.162  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.626   0.829   0.109  0.00  0.00    +0.247 C 
ATOM     23  N   LIG    1        4.583  -0.134  -0.145  0.00  0.00    -0.298 N 
ATOM     24  C   LIG    1        4.408  -1.382  -0.876  0.00  0.00    +0.108 C 
ATOM     25  C   LIG    1        5.773  -2.052  -0.810  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        6.731  -0.869  -0.769  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        5.989   0.141   0.096  0.00  0.00    +0.108 C 
ATOM     28  O   LIG    1        3.882   1.940   0.566  0.00  0.00    -0.270 OA
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2