REMARK  Name = BDB006061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.619   0.605  -1.857  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.520   0.270  -1.431  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.047   0.717  -0.113  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        3.796   0.297   0.301  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        3.250   0.666   1.537  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        1.971   0.244   1.968  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        1.290  -0.521   1.155  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        1.783  -0.922  -0.070  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        1.212  -1.504  -0.667  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        4.016   1.489   2.364  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        5.287   1.924   1.960  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.001  -0.566  -0.577  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        3.420  -0.960  -1.743  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1        5.806   1.539   0.720  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.660  -0.539  -2.144  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1        4.971  -0.856  -3.057  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.108  -0.991   1.569  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.136  -0.009   1.177  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -1.245   0.166  -0.280  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -2.587   0.763  -0.688  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -3.721  -0.195  -0.317  0.00  0.00    +0.172 C 
ATOM     22  O   LIG    1       -4.922   0.568  -0.095  0.00  0.00    -0.346 OA
ATOM     23  C   LIG    1       -5.723   0.336  -1.253  0.00  0.00    +0.191 C 
ATOM     24  C   LIG    1       -5.346  -1.063  -1.653  0.00  0.00    +0.191 C 
ATOM     25  O   LIG    1       -3.939  -1.104  -1.417  0.00  0.00    -0.346 OA
ATOM     26  C   LIG    1       -3.410  -1.020   0.936  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -2.426  -0.278   1.833  0.00  0.00    +0.090 C 
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 2