REMARK  Name = BDB061980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.394  -0.337  -0.269  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1        1.907  -0.664  -1.512  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1        0.560  -0.497  -1.392  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        0.294  -0.081  -0.101  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -1.036   0.163   0.278  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.051  -0.024  -0.674  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.724  -0.453  -1.975  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -0.402  -0.701  -2.370  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1        1.467   0.017   0.605  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.635  -0.575   0.329  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1        5.783  -0.174   1.364  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.402  -0.101   1.158  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.841  -0.423  -0.086  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.700  -0.818  -1.122  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.082  -0.891  -0.918  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.800   0.686   0.215  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        8.125  -0.637   0.544  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -3.423   0.184  -0.403  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -4.048   0.017  -1.180  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -3.979   0.669   0.768  0.00  0.00    +0.248 C 
ATOM     21  O   LIG    1       -3.379   1.069   1.757  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -5.469   0.733   0.783  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -6.257  -0.232   0.145  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -7.655  -0.121   0.204  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1       -8.268   0.930   0.899  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -7.475   1.876   1.548  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -6.083   1.776   1.494  0.00  0.00    +0.013 A 
BRANCH  24  28
ATOM     28  N   LIG    1       -8.486  -1.123  -0.475  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1       -9.705  -1.102  -0.264  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -7.912  -1.923  -1.229  0.00  0.00    -0.126 OA
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5