REMARK  Name = BDB027076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.241  -0.143  -0.084  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.993   1.339   0.170  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.825   2.217  -0.913  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.585   3.575  -0.698  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.506   4.073   0.601  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.664   3.213   1.686  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.902   1.855   1.474  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.100  -1.004   0.327  0.00  0.00    -0.300 NA
ATOM      9  H   LIG    1       -0.041  -0.960   1.347  0.00  0.00    +0.123 HD
BRANCH   8  11
ATOM     10  C   LIG    1        1.190  -1.038  -1.784  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        1.200  -0.698  -0.289  0.00  0.00    +0.056 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.290  -1.516   0.452  0.00  0.00    +0.053 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.706  -1.136   0.078  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        4.495  -2.002  -0.690  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.799  -1.646  -1.042  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        6.335  -0.424  -0.621  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.549   0.450   0.138  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.243   0.093   0.488  0.00  0.00    +0.004 A 
BRANCH  16  19
ATOM     19  C   LIG    1        7.728  -0.089  -1.021  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        8.272  -0.627  -1.977  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        8.403   0.820  -0.254  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        9.387   0.923  -0.466  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        8.108   1.045   0.685  0.00  0.00    +0.145 HD
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -2.515  -0.619   0.682  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -2.417  -1.104   1.816  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.833  -0.444   0.050  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -5.104  -0.875   0.568  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -6.086  -0.498  -0.349  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -7.448  -0.765  -0.159  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -7.822  -1.439   1.006  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.869  -1.830   1.942  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1       -5.449   0.139  -1.385  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1       -5.918   0.524  -2.193  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1       -5.513  -1.555   1.736  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -4.098   0.178  -1.159  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8