@MOLECULE (2S)-2-methyl-1-(1-methylcyclobutyl)butan-1-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5644 0.7822 0.5344 C.3 1 UNL11111111 -0.4354 2 C 2.4028 0.4651 -0.4045 C.3 1 UNL11111111 -0.2463 3 C 1.2760 -0.2912 0.3221 C.3 1 UNL11111111 -0.1965 4 H 1.0743 0.2023 1.3015 H 1 UNL11111111 0.1503 5 C 1.6344 -1.7589 0.5587 C.3 1 UNL11111111 -0.4353 6 C 0.0380 -0.2427 -0.5622 C.2 1 UNL11111111 0.4434 7 O 0.0380 -0.7349 -1.6620 O.2 1 UNL11111111 -0.4529 8 C -1.1809 0.4674 -0.0160 C.3 1 UNL11111111 -0.0496 9 C -0.9310 1.9623 -0.0083 C.3 1 UNL11111111 -0.4507 10 C -2.5132 0.0383 -0.7015 C.3 1 UNL11111111 -0.2723 11 C -3.0211 -0.5511 0.6381 C.3 1 UNL11111111 -0.2735 12 C -1.6975 -0.1304 1.3285 C.3 1 UNL11111111 -0.2860 13 H 4.3767 1.2886 -0.0002 H 1 UNL11111111 0.1424 14 H 3.2528 1.4362 1.3561 H 1 UNL11111111 0.1402 15 H 3.9836 -0.1281 0.9781 H 1 UNL11111111 0.1445 16 H 2.0076 1.4041 -0.8390 H 1 UNL11111111 0.1360 17 H 2.7552 -0.1343 -1.2682 H 1 UNL11111111 0.1545 18 H 2.5447 -1.8542 1.1610 H 1 UNL11111111 0.1491 19 H 0.8328 -2.2930 1.0799 H 1 UNL11111111 0.1417 20 H 1.8109 -2.2809 -0.3926 H 1 UNL11111111 0.1637 21 H -0.7262 2.3365 -1.0207 H 1 UNL11111111 0.1571 22 H -1.8052 2.5107 0.3667 H 1 UNL11111111 0.1573 23 H -0.0798 2.2341 0.6274 H 1 UNL11111111 0.1494 24 H -3.1070 0.8655 -1.0947 H 1 UNL11111111 0.1424 25 H -2.3836 -0.6942 -1.5067 H 1 UNL11111111 0.1620 26 H -3.9144 -0.0670 1.0382 H 1 UNL11111111 0.1380 27 H -3.1986 -1.6294 0.6190 H 1 UNL11111111 0.1410 28 H -1.1077 -0.9640 1.7165 H 1 UNL11111111 0.1413 29 H -1.8153 0.6031 2.1289 H 1 UNL11111111 0.1441 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 11 12 1 12 8 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 5 18 1 19 5 19 1 20 5 20 1 21 9 21 1 22 9 22 1 23 9 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