REMARK  Name = BDB045747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.200   0.514  -0.068  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.498  -0.680  -0.247  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.102  -0.690  -0.142  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -0.566  -1.907  -0.327  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.047  -2.751  -0.531  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.927  -2.063  -0.254  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -2.740  -0.857   0.043  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.108   0.388   0.236  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -2.940   1.490   0.514  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.332   1.354   0.594  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.929   0.114   0.398  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.135  -0.994   0.122  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1       -2.444  -3.162  -0.428  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -0.634   0.477   0.141  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        0.094   1.666   0.317  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.491   1.685   0.214  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        3.683   0.594  -0.166  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1        4.312   1.629  -0.012  0.00  0.00    -0.245 OA
BRANCH  17  20
ATOM     19  C   LIG    1        5.636  -0.626  -0.552  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        4.212  -0.624  -0.443  0.00  0.00    -0.464 OA
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 2