REMARK  Name = BDB028546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.641  -2.649   0.612  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.065  -2.096  -0.400  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.289  -2.403  -0.977  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -2.974  -1.560  -1.950  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -3.543  -0.272  -1.361  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -4.170  -0.378   0.045  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -4.927  -1.695   0.325  0.00  0.00    +0.010 C 
ATOM      8  C   LIG    1       -4.004  -2.835   0.778  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1       -3.116  -3.409  -0.322  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -0.365  -1.099  -1.028  0.00  0.00    -0.297 N 
ATOM     11  H   LIG    1       -0.430  -1.112  -2.036  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -5.054   0.840   0.292  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1       -4.592   1.883   1.109  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.381   3.011   1.339  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.640   3.115   0.752  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.110   2.091  -0.067  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.322   0.961  -0.298  0.00  0.00    +0.004 A 
ENDBRANCH   6  12
BRANCH  10  18
ATOM     18  C   LIG    1        0.957  -0.730  -0.546  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.480   0.497  -1.294  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.664   0.152  -2.681  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.605  -0.116  -2.742  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.803   1.076  -0.741  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.995   0.288  -1.143  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.195   1.152  -1.214  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.874   1.354   0.117  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.111   0.208   0.893  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.795   0.307   2.105  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.228   1.556   2.550  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.988   2.699   1.783  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.611  -1.095   0.332  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.317   2.600   0.564  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.202  -0.893  -0.263  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 6