REMARK  Name = BDB026678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.103  -0.092   0.262  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.758   0.676   0.368  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.661  -1.346   0.064  0.00  0.00    +0.225 C 
ATOM      4  O   LIG    1       -0.039  -2.379  -0.171  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  12
ATOM      5  O   LIG    1        7.398   1.355  -0.004  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        6.264   0.888  -0.085  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        5.164   1.637   0.215  0.00  0.00    -0.270 N 
ATOM      8  H   LIG    1        5.296   2.611   0.449  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.861   1.162   0.210  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        3.630  -0.202   0.070  0.00  0.00    -0.005 A 
ATOM     11  C   LIG    1        2.307  -0.658   0.091  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        1.264   0.253   0.233  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        1.616   1.596   0.374  0.00  0.00    +0.136 A 
ATOM     14  C   LIG    1        4.792  -1.149   0.017  0.00  0.00    +0.048 C 
ATOM     15  N   LIG    1        2.885   2.070   0.375  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        6.003  -0.498  -0.630  0.00  0.00    +0.101 C 
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1       -2.189  -1.376   0.214  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -2.901  -0.320  -0.625  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -3.950   0.455  -0.093  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -4.568   1.427  -0.895  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.183   1.604  -2.223  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.179   0.810  -2.766  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.411   0.295   1.335  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -4.013  -1.052   1.930  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.547  -0.150  -1.976  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.527  -1.297   1.713  0.00  0.00    +0.018 C 
ENDBRANCH   3  17
TORSDOF 2