@MOLECULE chalcone, 2',3,4'-trihydroxy-4-methoxy- 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9829 -0.8758 -0.0918 O.3 1 UNL1111111111 -0.3379 2 O -5.3761 1.6951 -0.6224 O.3 1 UNL1111111111 -0.4456 3 O 4.3088 2.1576 0.0788 O.3 1 UNL1111111111 -0.4745 4 O 1.7621 2.2059 0.2547 O.2 1 UNL1111111111 -0.5480 5 O 6.3753 -2.0622 -0.2583 O.3 1 UNL1111111111 -0.4624 6 C -2.0794 0.4770 0.2482 C.ar 1 UNL1111111111 -0.0430 7 C 2.9147 0.1895 0.0147 C.ar 1 UNL1111111111 -0.4136 8 C -3.1236 1.3346 -0.1273 C.ar 1 UNL1111111111 -0.1937 9 C -2.3371 -0.8667 0.5168 C.ar 1 UNL1111111111 -0.1421 10 C -0.7291 1.0239 0.3554 C.2 1 UNL1111111111 -0.0080 11 C -4.6688 -0.5396 0.0350 C.ar 1 UNL1111111111 0.1170 12 C -4.4086 0.8232 -0.2415 C.ar 1 UNL1111111111 0.1982 13 C 1.6960 0.9889 0.0935 C.2 1 UNL1111111111 0.5322 14 C 4.1746 0.8349 0.0013 C.ar 1 UNL1111111111 0.4554 15 C -3.6332 -1.3799 0.4155 C.ar 1 UNL1111111111 -0.2318 16 C 0.3714 0.3589 -0.0305 C.2 1 UNL1111111111 -0.3185 17 C 2.8930 -1.2153 -0.0421 C.ar 1 UNL1111111111 0.0422 18 C 5.3765 0.1129 -0.0977 C.ar 1 UNL1111111111 -0.4612 19 C 4.0543 -1.9547 -0.1304 C.ar 1 UNL1111111111 -0.3478 20 C 5.2868 -1.2694 -0.1630 C.ar 1 UNL1111111111 0.4010 21 C -6.2972 -2.2598 -0.0206 C.3 1 UNL1111111111 -0.1862 22 H -2.9423 2.3883 -0.3404 H 1 UNL1111111111 0.1858 23 H -1.5258 -1.5268 0.8206 H 1 UNL1111111111 0.1590 24 H -0.6576 2.0415 0.7673 H 1 UNL1111111111 0.1778 25 H -3.8131 -2.4275 0.6386 H 1 UNL1111111111 0.1625 26 H 0.3288 -0.6333 -0.4703 H 1 UNL1111111111 0.1688 27 H 1.9329 -1.7384 -0.0110 H 1 UNL1111111111 0.1517 28 H 6.3203 0.6446 -0.1156 H 1 UNL1111111111 0.1910 29 H 4.0461 -3.0390 -0.1751 H 1 UNL1111111111 0.1817 30 H -6.2568 1.2441 -0.6971 H 1 UNL1111111111 0.3376 31 H 3.3906 2.6162 0.1777 H 1 UNL1111111111 0.3898 32 H -6.0964 -2.6488 0.9830 H 1 UNL1111111111 0.1360 33 H -5.7586 -2.8259 -0.7870 H 1 UNL1111111111 0.1362 34 H -7.3770 -2.2621 -0.2253 H 1 UNL1111111111 0.1547 35 H 7.2221 -1.5477 -0.2789 H 1 UNL1111111111 0.3357 @BOND 1 1 11 1 2 1 21 1 3 2 12 1 4 2 30 1 5 3 14 1 6 3 31 1 7 4 13 2 8 5 20 1 9 5 35 1 10 6 8 ar 11 6 9 ar 12 6 10 1 13 7 13 1 14 7 14 ar 15 7 17 ar 16 8 12 ar 17 8 22 1 18 9 15 ar 19 9 23 1 20 10 16 2 21 10 24 1 22 11 12 ar 23 11 15 ar 24 13 16 1 25 14 18 ar 26 15 25 1 27 16 26 1 28 17 19 ar 29 17 27 1 30 18 20 ar 31 18 28 1 32 19 20 ar 33 19 29 1 34 21 32 1 35 21 33 1 36 21 34 1