@MOLECULE (1R,2R)-1-isobutylsulfanyl-2-methyl-cyclobutane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8726 0.3287 0.0671 C.3 1 UNL11111111 -0.0461 2 C -3.9232 0.4576 -1.0484 C.3 1 UNL11111111 -0.4574 3 C -3.2925 -0.7784 1.0404 C.3 1 UNL11111111 -0.4549 4 C -1.5096 0.0283 -0.5699 C.3 1 UNL11111111 -0.3255 5 S -0.1592 0.3102 0.6514 S.3 1 UNL11111111 -0.0783 6 C 1.3202 0.1083 -0.3944 C.3 1 UNL11111111 -0.1788 7 H 1.2550 0.7753 -1.2675 H 1 UNL11111111 0.1506 8 C 2.6481 0.2696 0.4094 C.3 1 UNL11111111 -0.0757 9 H 2.5078 0.3533 1.5027 H 1 UNL11111111 0.1479 10 C 3.5461 1.3815 -0.0941 C.3 1 UNL11111111 -0.4550 11 C 3.0681 -1.1677 -0.0235 C.3 1 UNL11111111 -0.2906 12 C 1.7157 -1.3447 -0.7611 C.3 1 UNL11111111 -0.2846 13 H -2.8305 1.3011 0.6193 H 1 UNL11111111 0.1430 14 H -4.9134 0.6730 -0.6316 H 1 UNL11111111 0.1463 15 H -3.6775 1.2685 -1.7419 H 1 UNL11111111 0.1427 16 H -4.0076 -0.4663 -1.6298 H 1 UNL11111111 0.1456 17 H -3.3301 -1.7563 0.5489 H 1 UNL11111111 0.1443 18 H -2.5995 -0.8644 1.8857 H 1 UNL11111111 0.1551 19 H -4.2858 -0.5805 1.4581 H 1 UNL11111111 0.1425 20 H -1.4676 -1.0144 -0.9292 H 1 UNL11111111 0.1542 21 H -1.3422 0.6778 -1.4468 H 1 UNL11111111 0.1507 22 H 3.1005 2.3666 0.0954 H 1 UNL11111111 0.1522 23 H 4.5214 1.3592 0.4078 H 1 UNL11111111 0.1492 24 H 3.7318 1.3069 -1.1720 H 1 UNL11111111 0.1473 25 H 3.9462 -1.2079 -0.6709 H 1 UNL11111111 0.1419 26 H 3.2262 -1.8583 0.8072 H 1 UNL11111111 0.1421 27 H 1.0796 -2.1301 -0.3421 H 1 UNL11111111 0.1515 28 H 1.8048 -1.5265 -1.8354 H 1 UNL11111111 0.1397 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 6 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1