REMARK  Name = BDB047859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.713   0.245   0.751  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.752  -1.155   0.856  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.740  -1.935   0.261  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -1.497  -3.333   0.185  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.343  -3.519  -0.541  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        0.136  -2.282  -0.898  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1       -0.711  -1.294  -0.432  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.657   0.103  -0.554  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -1.672   0.857   0.046  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -3.810   1.085   1.375  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.059   1.156   0.482  0.00  0.00    +0.230 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.744  -0.287  -0.371  0.00  0.00    +0.195 C 
ATOM     13  O   LIG    1       -5.808  -0.051   0.672  0.00  0.00    -0.368 OA
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -5.857   2.408   0.859  0.00  0.00    +0.334 C 
ATOM     15  O   LIG    1       -6.968   2.462   1.360  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.216   3.554   0.536  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -5.842   4.256   0.816  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1        1.337  -2.065  -1.698  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.425  -1.419  -0.917  0.00  0.00    +0.102 A 
ATOM     20  C   LIG    1        2.956  -1.744   0.316  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1        2.683  -2.779   1.329  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        3.946  -0.846   0.598  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        3.974  -0.011  -0.488  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        3.093  -0.319  -1.421  0.00  0.00    -0.212 NA
BRANCH  23  25
ATOM     25  C   LIG    1        4.954   1.072  -0.464  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        5.043   1.951  -1.554  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.970   2.996  -1.559  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.822   3.176  -0.472  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.747   2.313   0.620  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.819   1.268   0.624  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 8