@MOLECULE 3-methyl-1-(3-methylcyclobutyl)butan-1-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9603 -1.0552 -0.3986 C.3 1 UNL11111111 -0.2787 2 C -2.9949 0.1100 -0.3660 C.3 1 UNL11111111 -0.0756 3 H -3.1281 0.5838 -1.3546 H 1 UNL11111111 0.1408 4 C -4.3338 -0.2405 0.2496 C.3 1 UNL11111111 -0.4553 5 C -2.0378 0.9189 0.5584 C.3 1 UNL11111111 -0.2754 6 C -1.0107 -0.2467 0.5324 C.3 1 UNL11111111 -0.2468 7 H -0.8636 -0.7167 1.5166 H 1 UNL11111111 0.1509 8 C 0.2945 0.0992 -0.1333 C.2 1 UNL11111111 0.4708 9 O 0.3603 0.9309 -1.0033 O.2 1 UNL11111111 -0.4543 10 C 1.5005 -0.6754 0.3347 C.3 1 UNL11111111 -0.4060 11 C 2.8108 -0.0885 -0.2211 C.3 1 UNL11111111 -0.0336 12 C 3.1243 1.2561 0.4433 C.3 1 UNL11111111 -0.4562 13 C 3.9611 -1.0745 0.0131 C.3 1 UNL11111111 -0.4600 14 H -2.3156 -1.9937 0.0309 H 1 UNL11111111 0.1426 15 H -1.5570 -1.2620 -1.3936 H 1 UNL11111111 0.1468 16 H -4.2234 -0.7022 1.2380 H 1 UNL11111111 0.1459 17 H -4.9581 0.6529 0.3738 H 1 UNL11111111 0.1478 18 H -4.8894 -0.9454 -0.3807 H 1 UNL11111111 0.1463 19 H -1.6716 1.8499 0.1108 H 1 UNL11111111 0.1595 20 H -2.4360 1.1457 1.5480 H 1 UNL11111111 0.1403 21 H 1.5389 -0.7020 1.4405 H 1 UNL11111111 0.1640 22 H 1.3909 -1.7324 0.0154 H 1 UNL11111111 0.1670 23 H 2.6879 0.0770 -1.3216 H 1 UNL11111111 0.1490 24 H 4.0522 1.6844 0.0494 H 1 UNL11111111 0.1440 25 H 2.3255 1.9840 0.2487 H 1 UNL11111111 0.1575 26 H 3.2362 1.1609 1.5268 H 1 UNL11111111 0.1391 27 H 3.7751 -2.0347 -0.4784 H 1 UNL11111111 0.1404 28 H 4.9021 -0.6801 -0.3866 H 1 UNL11111111 0.1460 29 H 4.1163 -1.2689 1.0792 H 1 UNL11111111 0.1430 @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 1 13 11 13 1 14 1 14 1 15 1 15 1 16 4 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1