@MOLECULE 2-(2-hydroxy-2-propanyl)-10-methylspiro[4.5]dec-6-ene-6-carboxylic acid 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8998 -1.0008 0.7397 O.3 1 UNL111111111 -0.5584 2 O 1.8900 -2.6139 -0.8007 O.3 1 UNL111111111 -0.5668 3 O 0.4516 -2.6587 0.8964 O.2 1 UNL111111111 -0.4811 4 C 0.7158 0.4140 -0.3238 C.3 1 UNL111111111 0.0700 5 C -1.7404 0.6800 -0.4158 C.3 1 UNL111111111 -0.1297 6 C -0.5531 0.6043 0.5596 C.3 1 UNL111111111 -0.3007 7 C 0.1800 -0.0751 -1.6991 C.3 1 UNL111111111 -0.2980 8 C 1.4705 1.7636 -0.4761 C.3 1 UNL111111111 -0.0917 9 C -1.3322 -0.2925 -1.5373 C.3 1 UNL111111111 -0.2719 10 C -3.0827 0.3137 0.2483 C.3 1 UNL111111111 0.3361 11 C 1.6077 -0.5986 0.3389 C.2 1 UNL111111111 -0.1349 12 C 2.1424 2.1416 0.8581 C.3 1 UNL111111111 -0.2779 13 C 3.1755 1.0913 1.2846 C.3 1 UNL111111111 -0.2713 14 C 2.5226 1.7196 -1.5918 C.3 1 UNL111111111 -0.4534 15 C 2.6903 -0.3011 1.0668 C.2 1 UNL111111111 -0.0966 16 C -4.2331 0.3098 -0.7680 C.3 1 UNL111111111 -0.5130 17 C -3.4037 1.2494 1.4223 C.3 1 UNL111111111 -0.5135 18 C 1.2096 -2.0164 0.2216 C.2 1 UNL111111111 0.6392 19 H -1.8256 1.7109 -0.8269 H 1 UNL111111111 0.1321 20 H -0.4864 1.4894 1.2038 H 1 UNL111111111 0.1335 21 H -0.6834 -0.2659 1.2379 H 1 UNL111111111 0.1809 22 H 0.6932 -0.9876 -2.0420 H 1 UNL111111111 0.1546 23 H 0.3659 0.6755 -2.4853 H 1 UNL111111111 0.1414 24 H 0.7180 2.5488 -0.7303 H 1 UNL111111111 0.1327 25 H -1.8781 -0.1089 -2.4722 H 1 UNL111111111 0.1300 26 H -1.5537 -1.3345 -1.2346 H 1 UNL111111111 0.1651 27 H 1.3732 2.2477 1.6469 H 1 UNL111111111 0.1409 28 H 2.6215 3.1331 0.7712 H 1 UNL111111111 0.1328 29 H 3.4466 1.2420 2.3502 H 1 UNL111111111 0.1468 30 H 4.1201 1.2374 0.7151 H 1 UNL111111111 0.1542 31 H 3.2062 2.5720 -1.5288 H 1 UNL111111111 0.1392 32 H 3.1252 0.8045 -1.5345 H 1 UNL111111111 0.1574 33 H 2.0651 1.7463 -2.5860 H 1 UNL111111111 0.1408 34 H 3.2954 -1.0791 1.5367 H 1 UNL111111111 0.1497 35 H -5.1967 0.1145 -0.2891 H 1 UNL111111111 0.1462 36 H -4.3085 1.2666 -1.2917 H 1 UNL111111111 0.1514 37 H -4.0793 -0.4748 -1.5196 H 1 UNL111111111 0.1631 38 H -2.6672 1.1258 2.2265 H 1 UNL111111111 0.1641 39 H -4.3887 1.0404 1.8493 H 1 UNL111111111 0.1459 40 H -3.3908 2.2982 1.1130 H 1 UNL111111111 0.1519 41 H -3.6875 -1.3132 1.2187 H 1 UNL111111111 0.3115 42 H 1.6614 -3.5672 -0.9176 H 1 UNL111111111 0.3474 @BOND 1 1 10 1 2 1 41 1 3 2 18 1 4 2 42 1 5 3 18 2 6 4 6 1 7 4 7 1 8 4 8 1 9 4 11 1 10 5 6 1 11 5 9 1 12 5 10 1 13 5 19 1 14 6 20 1 15 6 21 1 16 7 9 1 17 7 22 1 18 7 23 1 19 8 12 1 20 8 14 1 21 8 24 1 22 9 25 1 23 9 26 1 24 10 16 1 25 10 17 1 26 11 15 2 27 11 18 1 28 12 13 1 29 12 27 1 30 12 28 1 31 13 15 1 32 13 29 1 33 13 30 1 34 14 31 1 35 14 32 1 36 14 33 1 37 15 34 1 38 16 35 1 39 16 36 1 40 16 37 1 41 17 38 1 42 17 39 1 43 17 40 1