@MOLECULE cyclohexanepropionic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.8171 0.1755 0.2982 C.3 1 UNL1111111111 -0.0923 2 C -1.7731 1.3509 0.0184 C.3 1 UNL1111111111 -0.2779 3 C -3.2047 0.9944 0.4375 C.3 1 UNL1111111111 -0.2654 4 C -3.6842 -0.2660 -0.2940 C.3 1 UNL1111111111 -0.2651 5 C -2.7315 -1.4378 -0.0240 C.3 1 UNL1111111111 -0.2658 6 C -1.3025 -1.0781 -0.4514 C.3 1 UNL1111111111 -0.2757 7 C 0.6052 0.5655 -0.1391 C.3 1 UNL1111111111 -0.2812 8 C 1.6542 -0.4087 0.4021 C.3 1 UNL1111111111 -0.3437 9 C 3.0221 0.0389 0.0012 C.2 1 UNL1111111111 0.6485 10 O 3.9265 -0.9491 0.2496 O.3 1 UNL1111111111 -0.5757 11 O 3.3805 1.0854 -0.4689 O.2 1 UNL1111111111 -0.5074 12 H -0.8222 -0.0344 1.3937 H 1 UNL1111111111 0.1338 13 H -1.4363 2.2530 0.5609 H 1 UNL1111111111 0.1333 14 H -1.7488 1.6110 -1.0560 H 1 UNL1111111111 0.1401 15 H -3.2510 0.8365 1.5311 H 1 UNL1111111111 0.1347 16 H -3.8833 1.8401 0.2226 H 1 UNL1111111111 0.1310 17 H -4.7087 -0.5263 0.0271 H 1 UNL1111111111 0.1297 18 H -3.7437 -0.0714 -1.3812 H 1 UNL1111111111 0.1368 19 H -2.7510 -1.7000 1.0501 H 1 UNL1111111111 0.1346 20 H -3.0743 -2.3387 -0.5643 H 1 UNL1111111111 0.1296 21 H -1.2689 -0.9049 -1.5431 H 1 UNL1111111111 0.1398 22 H -0.6268 -1.9293 -0.2547 H 1 UNL1111111111 0.1291 23 H 0.8389 1.5934 0.2093 H 1 UNL1111111111 0.1580 24 H 0.6646 0.6172 -1.2439 H 1 UNL1111111111 0.1530 25 H 1.4651 -1.4428 0.0391 H 1 UNL1111111111 0.1822 26 H 1.5969 -0.4793 1.5108 H 1 UNL1111111111 0.1806 27 H 4.8539 -0.7080 0.0124 H 1 UNL1111111111 0.3553 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 1 12 1 5 2 3 1 6 2 13 1 7 2 14 1 8 3 4 1 9 3 15 1 10 3 16 1 11 4 5 1 12 4 17 1 13 4 18 1 14 5 6 1 15 5 19 1 16 5 20 1 17 6 21 1 18 6 22 1 19 7 8 1 20 7 23 1 21 7 24 1 22 8 9 1 23 8 25 1 24 8 26 1 25 9 10 1 26 9 11 2 27 10 27 1