@MOLECULE (2R)-1-cyclopentyl-2-methyl-pentan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2321 -1.0772 0.1971 C.3 1 UNL11111111 -0.3096 2 C -3.7070 -0.7284 -0.0751 C.3 1 UNL11111111 -0.4897 3 C -3.7585 0.7725 -0.4248 C.3 1 UNL11111111 -0.2564 4 C -2.3147 1.3001 -0.3497 C.3 1 UNL11111111 -0.4292 5 C -1.4112 0.0578 -0.4476 C.3 1 UNL11111111 0.2044 6 C -0.1073 0.2515 0.2977 C.2 1 UNL11111111 0.0207 7 O -0.0439 0.9183 1.2991 O.2 1 UNL11111111 -0.2426 8 C 1.1240 -0.4451 -0.2653 C.3 1 UNL11111111 -0.0607 9 H 1.0657 -0.4699 -1.3791 H 1 UNL11111111 0.1799 10 C 1.1344 -1.8758 0.2777 C.3 1 UNL11111111 -0.9198 11 C 2.3828 0.3312 0.1522 C.3 1 UNL11111111 -0.4638 12 C 3.6250 -0.1472 -0.6087 C.3 1 UNL11111111 -0.0850 13 C 4.8565 0.6564 -0.1900 C.3 1 UNL11111111 -0.8185 14 H -2.0433 -1.1226 1.2854 H 1 UNL11111111 0.1933 15 H -1.9643 -2.0619 -0.2133 H 1 UNL11111111 0.1357 16 H -4.1055 -1.3359 -0.9039 H 1 UNL11111111 0.1964 17 H -4.3337 -0.9561 0.8017 H 1 UNL11111111 0.1965 18 H -4.1800 0.9225 -1.4320 H 1 UNL11111111 0.1473 19 H -4.4136 1.3233 0.2689 H 1 UNL11111111 0.1579 20 H -2.0980 2.0270 -1.1455 H 1 UNL11111111 0.1491 21 H -2.1444 1.8280 0.6097 H 1 UNL11111111 0.1893 22 H -1.2195 -0.1796 -1.5174 H 1 UNL11111111 0.0938 23 H 1.1712 -1.8866 1.3750 H 1 UNL11111111 0.3017 24 H 0.2465 -2.4363 -0.0343 H 1 UNL11111111 0.2510 25 H 2.0123 -2.4273 -0.0799 H 1 UNL11111111 0.2740 26 H 2.2285 1.4145 -0.0221 H 1 UNL11111111 0.1979 27 H 2.5373 0.2375 1.2452 H 1 UNL11111111 0.2263 28 H 3.7985 -1.2235 -0.4202 H 1 UNL11111111 0.1329 29 H 3.4645 -0.0519 -1.6990 H 1 UNL11111111 0.1224 30 H 5.7467 0.3369 -0.7419 H 1 UNL11111111 0.2244 31 H 4.7198 1.7274 -0.3771 H 1 UNL11111111 0.2418 32 H 5.0692 0.5343 0.8781 H 1 UNL11111111 0.2387 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 8 10 1 11 8 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1