REMARK  Name = BDB065297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.264   0.499  -0.307  0.00  0.00    +0.351 C 
ATOM      2  O   LIG    1       -0.555   1.336  -1.152  0.00  0.00    -0.244 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.121  -0.532   0.160  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        5.102  -0.674   1.102  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        3.790  -0.370   0.747  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        3.463   0.073  -0.528  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        2.073   0.358  -0.838  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        1.127   0.212   0.105  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1        1.464  -0.198   1.483  0.00  0.00    +0.351 A 
ATOM     10  O   LIG    1        0.632  -0.242   2.383  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1        4.481   0.215  -1.471  0.00  0.00    +0.015 A 
ATOM     12  O   LIG    1        2.797  -0.519   1.732  0.00  0.00    -0.421 OA
ATOM     13  C   LIG    1        5.807  -0.086  -1.127  0.00  0.00    +0.046 A 
BRANCH   3  15
ATOM     14  C   LIG    1        8.448  -0.721  -0.301  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        7.369  -0.857   0.615  0.00  0.00    -0.495 OA
ENDBRANCH   3  15
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  O   LIG    1       -1.128  -0.362   0.344  0.00  0.00    -0.422 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.486  -0.166   0.076  0.00  0.00    +0.133 A 
ATOM     18  C   LIG    1       -3.297   0.240   1.135  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -4.677   0.405   0.939  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1       -5.244   0.137  -0.328  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -6.639   0.312  -0.459  0.00  0.00    +0.124 A 
ATOM     22  N   LIG    1       -7.437   0.734   0.540  0.00  0.00    -0.240 NA
ATOM     23  C   LIG    1       -6.857   0.987   1.730  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -4.392  -0.284  -1.377  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.505   0.834   1.979  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.021  -0.445  -1.176  0.00  0.00    +0.047 A 
BRANCH  21  27
ATOM     27  N   LIG    1       -7.304   0.056  -1.663  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -7.144  -0.899  -1.960  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -8.291   0.225  -1.477  0.00  0.00    +0.144 HD
ENDBRANCH  21  27
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5