REMARK  Name = BDB026679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.796  -2.325  -0.688  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.572  -2.980  -0.489  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        1.422  -2.218  -0.234  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.156  -2.654   0.021  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.586  -1.573   0.178  0.00  0.00    +0.147 A 
ATOM      6  N   LIG    1        0.195  -0.415   0.088  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.495  -0.829  -0.202  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.719  -0.157  -0.360  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.861  -0.928  -0.615  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.232   0.932   0.283  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        0.249   1.950  -0.551  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.181   3.271  -0.368  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        0.387   4.395  -1.191  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -0.609   5.535  -1.331  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -1.228   5.914  -0.006  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.494   4.886   0.859  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.029   5.135   1.682  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -1.569   7.065   0.255  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -1.079   3.567   0.661  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -1.545   2.563   1.507  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.129   1.244   1.314  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -2.042  -1.637   0.344  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -2.584  -2.478   1.317  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -3.960  -2.528   1.454  0.00  0.00    +0.215 A 
ATOM     25  N   LIG    1       -4.816  -1.812   0.695  0.00  0.00    -0.221 NA
ATOM     26  C   LIG    1       -4.272  -1.032  -0.261  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1       -2.909  -0.914  -0.478  0.00  0.00    +0.031 A 
BRANCH  24  28
ATOM     28  O   LIG    1       -4.444  -3.357   2.446  0.00  0.00    -0.480 OA
ATOM     29  C   LIG    1       -5.867  -3.402   2.490  0.00  0.00    +0.279 C 
ENDBRANCH  24  28
ENDBRANCH   5  22
BRANCH   1  30
ATOM     30  C   LIG    1        4.995  -3.165  -0.956  0.00  0.00    +0.339 C 
ATOM     31  O   LIG    1        4.968  -4.385  -1.008  0.00  0.00    -0.245 OA
BRANCH  30  33
ATOM     32  C   LIG    1        7.289  -3.129  -1.393  0.00  0.00    +0.280 C 
ATOM     33  O   LIG    1        6.095  -2.390  -1.131  0.00  0.00    -0.464 OA
ENDBRANCH  30  33
ENDBRANCH   1  30
TORSDOF 5