@MOLECULE helenalin 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7620 -1.0636 -0.4926 O.3 1 UNL1111111111 -0.4199 2 O 0.8230 1.3364 -1.8121 O.3 1 UNL1111111111 -0.5856 3 O 2.9244 2.2596 0.1216 O.2 1 UNL1111111111 -0.4595 4 O -4.4142 0.1209 0.4283 O.2 1 UNL1111111111 -0.4246 5 C 1.2959 0.4570 0.3581 C.3 1 UNL1111111111 -0.0986 6 C 1.5279 -0.9880 -0.1725 C.3 1 UNL1111111111 -0.1610 7 C 0.2800 1.2198 -0.4997 C.3 1 UNL1111111111 0.1608 8 C 0.6963 -2.0811 0.5011 C.3 1 UNL1111111111 -0.0733 9 C -1.0937 0.5892 -0.7583 C.3 1 UNL1111111111 -0.2062 10 C -1.3242 -0.9468 -0.6266 C.3 1 UNL1111111111 0.1338 11 C -0.7773 -1.6657 0.6054 C.3 1 UNL1111111111 -0.3356 12 C 2.7075 1.0816 0.1975 C.2 1 UNL1111111111 0.4698 13 C 0.9702 0.5897 1.8420 C.3 1 UNL1111111111 -0.4513 14 C 3.0217 -1.1886 -0.0483 C.2 1 UNL1111111111 -0.0497 15 C -2.2295 1.1478 0.0463 C.2 1 UNL1111111111 -0.1351 16 C 0.8192 -3.3941 -0.2834 C.3 1 UNL1111111111 -0.4566 17 C 3.6776 -0.0318 0.1319 C.2 1 UNL1111111111 -0.3222 18 C -3.2770 0.0873 0.0575 C.2 1 UNL1111111111 0.5772 19 C -2.3797 2.3341 0.6242 C.2 1 UNL1111111111 -0.2314 20 H 1.2839 -0.9849 -1.2744 H 1 UNL1111111111 0.1857 21 H 0.1544 2.2541 -0.0908 H 1 UNL1111111111 0.1378 22 H 1.0840 -2.2503 1.5368 H 1 UNL1111111111 0.1405 23 H -1.3119 0.8355 -1.8499 H 1 UNL1111111111 0.2033 24 H -1.0931 -1.4854 -1.5669 H 1 UNL1111111111 0.1501 25 H -1.4035 -2.5710 0.7800 H 1 UNL1111111111 0.1708 26 H -0.9441 -1.0448 1.5071 H 1 UNL1111111111 0.1539 27 H -0.0964 0.4294 2.0484 H 1 UNL1111111111 0.1622 28 H 1.5371 -0.1269 2.4487 H 1 UNL1111111111 0.1574 29 H 1.2127 1.5954 2.2167 H 1 UNL1111111111 0.1619 30 H 3.4454 -2.1757 -0.1337 H 1 UNL1111111111 0.1559 31 H 0.4211 -3.2998 -1.3004 H 1 UNL1111111111 0.1515 32 H 1.8597 -3.7238 -0.3660 H 1 UNL1111111111 0.1426 33 H 0.2636 -4.2021 0.2079 H 1 UNL1111111111 0.1513 34 H 4.7341 0.1430 0.2148 H 1 UNL1111111111 0.1812 35 H 1.5479 1.9957 -1.8307 H 1 UNL1111111111 0.3367 36 H -1.6375 3.1206 0.6060 H 1 UNL1111111111 0.1573 37 H -3.2799 2.6122 1.1639 H 1 UNL1111111111 0.1687 @BOND 1 1 10 1 2 1 18 1 3 2 7 1 4 2 35 1 5 3 12 2 6 4 18 2 7 5 6 1 8 5 7 1 9 5 12 1 10 5 13 1 11 6 8 1 12 6 14 1 13 6 20 1 14 7 9 1 15 7 21 1 16 8 11 1 17 8 16 1 18 8 22 1 19 9 10 1 20 9 15 1 21 9 23 1 22 10 11 1 23 10 24 1 24 11 25 1 25 11 26 1 26 12 17 1 27 13 27 1 28 13 28 1 29 13 29 1 30 14 17 2 31 14 30 1 32 15 18 1 33 15 19 2 34 16 31 1 35 16 32 1 36 16 33 1 37 17 34 1 38 19 36 1 39 19 37 1