@MOLECULE phorone 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0011 -1.2152 0.0319 O.2 1 UNL1111111111 -0.5253 2 C 2.4691 0.2061 -0.0052 C.2 1 UNL1111111111 0.2099 3 C -2.4695 0.2060 -0.0057 C.2 1 UNL1111111111 0.2091 4 C 1.2488 0.7732 -0.0572 C.2 1 UNL1111111111 -0.4186 5 C -1.2510 0.7726 0.0777 C.2 1 UNL1111111111 -0.4180 6 C -0.0002 0.0032 0.0183 C.2 1 UNL1111111111 0.5166 7 C 3.7067 1.0347 -0.1103 C.3 1 UNL1111111111 -0.4807 8 C 2.6881 -1.2544 0.1506 C.3 1 UNL1111111111 -0.4774 9 C -3.7112 1.0294 0.0896 C.3 1 UNL1111111111 -0.4805 10 C -2.6821 -1.2523 -0.1873 C.3 1 UNL1111111111 -0.4774 11 H 1.1329 1.8475 -0.1687 H 1 UNL1111111111 0.1648 12 H -1.1368 1.8458 0.2041 H 1 UNL1111111111 0.1649 13 H 4.2916 0.7513 -0.9992 H 1 UNL1111111111 0.1655 14 H 4.3578 0.8925 0.7645 H 1 UNL1111111111 0.1641 15 H 3.5006 2.1109 -0.1894 H 1 UNL1111111111 0.1581 16 H 3.7418 -1.5410 0.2186 H 1 UNL1111111111 0.1469 17 H 2.1684 -1.6451 1.0445 H 1 UNL1111111111 0.1848 18 H 2.2340 -1.8124 -0.6903 H 1 UNL1111111111 0.1874 19 H -3.5110 2.1041 0.1883 H 1 UNL1111111111 0.1579 20 H -4.3086 0.7310 0.9649 H 1 UNL1111111111 0.1656 21 H -4.3486 0.8978 -0.7968 H 1 UNL1111111111 0.1639 22 H -2.1267 -1.6347 -1.0629 H 1 UNL1111111111 0.1841 23 H -2.2642 -1.8183 0.6664 H 1 UNL1111111111 0.1876 24 H -3.7320 -1.5377 -0.3010 H 1 UNL1111111111 0.1469 @BOND 1 1 6 2 2 2 4 2 3 2 7 1 4 2 8 1 5 3 5 2 6 3 9 1 7 3 10 1 8 4 6 1 9 4 11 1 10 5 6 1 11 5 12 1 12 7 13 1 13 7 14 1 14 7 15 1 15 8 16 1 16 8 17 1 17 8 18 1 18 9 19 1 19 9 20 1 20 9 21 1 21 10 22 1 22 10 23 1 23 10 24 1