REMARK  Name = BDB001729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.589   0.985   0.479  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.032   0.286  -0.650  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.354   0.402  -1.081  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.260   1.215  -0.386  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.817   1.912   0.743  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.493   1.796   1.174  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.837   0.842   0.956  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.979  -0.323   1.942  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.397  -0.456   2.499  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.248  -3.494   1.296  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.711  -2.126   1.011  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.393  -0.868   1.477  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        4.166   0.069   0.829  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.917  -0.638   0.004  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.688  -1.989   0.066  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.929  -0.181  -0.944  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.200   1.191  -1.060  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.162   1.658  -1.959  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.868   0.758  -2.754  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.612  -0.608  -2.651  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.649  -1.075  -1.752  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.698   1.324  -0.847  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.529   0.084  -0.497  0.00  0.00    +0.240 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -6.716   0.014  -1.336  0.00  0.00    -0.169 N 
ATOM     25  N   LIG    1       -7.724   0.911  -1.222  0.00  0.00    -0.160 NA
ATOM     26  C   LIG    1       -8.532   0.534  -2.217  0.00  0.00    +0.156 A 
ATOM     27  C   LIG    1       -7.960  -0.536  -2.916  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1       -6.781  -0.853  -2.374  0.00  0.00    -0.160 NA
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -5.953  -0.033   0.947  0.00  0.00    +0.332 C 
ATOM     30  O   LIG    1       -6.401  -1.042   1.475  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.829   1.085   1.691  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -6.188   0.827   2.566  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10