REMARK  Name = BDB060608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.221  -0.040  -0.552  0.00  0.00    +0.166 C 
ATOM      2  C   LIG    1       -0.932   0.832   0.480  0.00  0.00    +0.177 C 
ATOM      3  C   LIG    1       -1.974   1.514  -0.385  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -2.381   0.379  -1.335  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -1.259  -0.548  -1.411  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -3.563  -0.346  -0.875  0.00  0.00    -0.303 N 
ATOM      7  C   LIG    1       -4.838   0.165  -0.942  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1       -5.711  -0.776  -0.416  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -7.070  -0.433  -0.397  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -7.445   0.770  -0.874  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -6.492   1.589  -1.359  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1       -4.925  -1.894  -0.025  0.00  0.00    +0.033 A 
ATOM     13  N   LIG    1       -5.167   1.373  -1.427  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -3.608  -1.603  -0.316  0.00  0.00    +0.091 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -8.066  -1.258   0.107  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -7.767  -1.890   0.836  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -8.911  -0.728   0.285  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1       -0.073   1.779   1.105  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.693   1.258   1.432  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -1.349   2.595  -1.103  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.776   3.034  -0.440  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1        0.566  -1.196   0.088  0.00  0.00    +0.119 C 
BRANCH  22  28
ATOM     23  C   LIG    1        5.528   2.393  -1.029  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        4.431   1.981  -0.157  0.00  0.00    -0.305 NA
ATOM     25  C   LIG    1        3.278   1.476  -0.913  0.00  0.00    +0.086 C 
ATOM     26  C   LIG    1        3.176  -0.047  -0.886  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1        2.968  -0.590   0.551  0.00  0.00    +0.024 C 
ATOM     28  N   LIG    1        1.564  -0.721   1.073  0.00  0.00    -0.294 NA
ATOM     29  C   LIG    1        1.680  -1.690   2.185  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        2.728  -2.704   1.762  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        3.497  -2.038   0.630  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1        3.740   0.330   1.552  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1        4.905   1.058   0.881  0.00  0.00    +0.086 C 
ENDBRANCH  22  28
ENDBRANCH   1  22
TORSDOF 6