REMARK  Name = BDB016365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.350   2.766   1.429  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.223   1.611   0.928  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -3.377   0.436   0.780  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.428   0.679   0.496  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.844  -0.669   0.036  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -5.208  -1.006  -0.144  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -5.548  -2.130  -0.925  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -4.579  -2.957  -1.481  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.241  -2.681  -1.256  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -6.333  -0.331   0.375  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -7.241  -0.672   0.082  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -6.479   0.682   1.264  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -7.625   1.052   1.541  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.853  -1.561  -0.496  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -5.302   1.301   1.941  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -1.407  -1.351  -0.289  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -0.581  -0.932  -1.336  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        0.792  -0.724  -1.135  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.390  -0.924   0.116  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        0.553  -1.356   1.159  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -0.820  -1.563   0.962  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  N   LIG    1        2.801  -0.722   0.337  0.00  0.00    -0.240 N 
ATOM     23  C   LIG    1        3.586   0.097  -0.491  0.00  0.00    +0.407 C 
ATOM     24  O   LIG    1        3.192   0.727  -1.464  0.00  0.00    -0.226 OA
ATOM     25  C   LIG    1        3.395  -1.313   1.536  0.00  0.00    +0.142 C 
BRANCH  23  26
ATOM     26  O   LIG    1        4.884   0.150  -0.072  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.877   0.950  -0.767  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        5.532   2.442  -0.713  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.085   0.458  -2.204  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.176   0.720   0.020  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 4