REMARK  Name = BDB029286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625   0.946  -0.688  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.354  -0.249  -0.644  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.765  -0.285  -0.741  0.00  0.00    -0.039 A 
ATOM      4  C   LIG    1       -3.411   0.960  -0.879  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.702   2.161  -0.926  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.313   2.152  -0.830  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.678  -0.027  -0.476  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1        0.774   1.014  -0.582  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        1.207   1.936  -0.596  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.429  -1.226  -0.481  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1        6.562  -0.867  -0.006  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        5.372   0.038  -0.110  0.00  0.00    +0.042 A 
ATOM     13  N   LIG    1        5.598   1.369  -0.092  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1        4.547   2.207  -0.203  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1        3.278   1.781  -0.334  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        3.097   0.438  -0.348  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        4.110  -0.487  -0.244  0.00  0.00    +0.056 A 
BRANCH  14  18
ATOM     18  C   LIG    1        4.812   3.692  -0.192  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        4.007   4.610   0.699  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        5.445   4.337   1.020  0.00  0.00    +0.012 C 
ENDBRANCH  14  18
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.600  -1.677  -0.670  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.735  -1.839  -1.755  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -3.693  -2.543  -2.657  0.00  0.00    +0.093 C 
ATOM     24  C   LIG    1       -2.968  -2.950  -1.354  0.00  0.00    +0.030 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.201  -3.626  -3.468  0.00  0.00    +0.066 C 
ATOM     26  N   LIG    1       -4.624  -4.486  -4.124  0.00  0.00    -0.196 NA
ENDBRANCH  23  25
BRANCH  21  27
ATOM     27  C   LIG    1       -4.125  -1.911   0.761  0.00  0.00    +0.088 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.047  -2.263   1.728  0.00  0.00    +0.134 A 
ATOM     29  N   LIG    1       -2.398  -1.407   2.579  0.00  0.00    -0.320 N 
ATOM     30  C   LIG    1       -2.583   0.005   2.774  0.00  0.00    +0.151 C 
ATOM     31  C   LIG    1       -1.491  -2.165   3.258  0.00  0.00    +0.224 A 
ATOM     32  N   LIG    1       -1.587  -3.414   2.874  0.00  0.00    -0.138 NA
ATOM     33  N   LIG    1       -2.565  -3.478   1.914  0.00  0.00    -0.135 NA
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH   3  21
TORSDOF 7