@MOLECULE pentanoyl 3-methylcyclobutanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9743 -1.0313 -0.6994 C.3 1 UNL1111111 -0.7379 2 C -4.2698 -0.2356 -0.3560 C.3 1 UNL1111111 0.3309 3 H -4.5872 0.4340 -1.1749 H 1 UNL1111111 0.1012 4 C -5.4271 -1.0853 0.1252 C.3 1 UNL1111111 -0.9411 5 C -3.4977 0.5176 0.7687 C.3 1 UNL1111111 -0.7605 6 C -2.2151 -0.2946 0.4408 C.3 1 UNL1111111 0.2477 7 H -1.8879 -0.9638 1.2574 H 1 UNL1111111 0.1310 8 C -1.0926 0.5504 -0.0658 C.2 1 UNL1111111 0.2581 9 O -1.1271 1.5857 -0.6586 O.2 1 UNL1111111 -0.2825 10 O 0.0883 -0.1083 0.2013 O.3 1 UNL1111111 -0.4018 11 C 1.3291 0.4904 0.1288 C.2 1 UNL1111111 0.4966 12 O 1.4740 1.6741 0.1589 O.2 1 UNL1111111 -0.3033 13 C 2.3567 -0.5985 0.0899 C.3 1 UNL1111111 -0.6122 14 C 3.7584 0.0054 -0.0285 C.3 1 UNL1111111 -0.1865 15 C 4.8267 -1.0932 0.0196 C.3 1 UNL1111111 -0.1542 16 C 6.2261 -0.4891 -0.0933 C.3 1 UNL1111111 -0.8185 17 H -3.0477 -2.1122 -0.5603 H 1 UNL1111111 0.2573 18 H -2.5880 -0.8454 -1.7056 H 1 UNL1111111 0.2532 19 H -5.1346 -1.7573 0.9409 H 1 UNL1111111 0.2779 20 H -6.2500 -0.4618 0.4962 H 1 UNL1111111 0.2572 21 H -5.8270 -1.7082 -0.6844 H 1 UNL1111111 0.2553 22 H -3.4087 1.5974 0.6031 H 1 UNL1111111 0.2710 23 H -3.8832 0.3590 1.7780 H 1 UNL1111111 0.2586 24 H 2.2693 -1.2265 1.0032 H 1 UNL1111111 0.2626 25 H 2.1489 -1.2888 -0.7558 H 1 UNL1111111 0.2530 26 H 3.8462 0.5849 -0.9694 H 1 UNL1111111 0.1381 27 H 3.9286 0.7418 0.7828 H 1 UNL1111111 0.1724 28 H 4.7411 -1.6699 0.9602 H 1 UNL1111111 0.1297 29 H 4.6635 -1.8205 -0.7981 H 1 UNL1111111 0.1356 30 H 6.3502 0.0676 -1.0294 H 1 UNL1111111 0.2425 31 H 6.4326 0.2039 0.7301 H 1 UNL1111111 0.2343 32 H 6.9978 -1.2664 -0.0694 H 1 UNL1111111 0.2343 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 1 17 1 18 1 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 14 27 1 28 15 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1