REMARK  Name = BDB016347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.334   2.527   0.723  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.571   1.082   0.272  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.299   0.378   0.324  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.514   0.987   0.093  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.162  -0.867  -0.328  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.226  -1.764  -0.593  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.962  -2.972  -1.270  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.673  -3.342  -1.637  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.387  -2.509  -1.320  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.587  -1.603  -0.258  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.224  -2.315  -0.595  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.255  -0.699   0.500  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.475  -0.836   0.628  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.171  -1.286  -0.659  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.538   0.400   1.213  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.360  -0.469  -0.339  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        2.084   0.176  -1.354  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        3.206   0.952  -1.048  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        3.631   1.088   0.278  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.912   0.459   1.300  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        1.789  -0.316   0.989  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.829   1.927   0.551  0.00  0.00    +0.242 C 
ATOM     23  O   LIG    1        5.226   2.763  -0.251  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        5.502   1.707   1.722  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        6.381   2.199   1.821  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        5.384   0.860   2.258  0.00  0.00    +0.145 HD
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2