@MOLECULE (1R,2R)-1-isohexylsulfanyl-2-methyl-cyclobutane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2841 0.3049 0.0748 C.3 1 UNL11111111 -0.0584 2 C -5.4114 0.3783 -0.9641 C.3 1 UNL11111111 -0.4570 3 C -4.6014 -0.7797 1.1105 C.3 1 UNL11111111 -0.4538 4 C -2.9453 0.0232 -0.6345 C.3 1 UNL11111111 -0.2884 5 C -1.7534 0.2087 0.3176 C.3 1 UNL11111111 -0.2612 6 C -0.4443 0.0350 -0.4469 C.3 1 UNL11111111 -0.3077 7 S 0.9616 0.2472 0.7256 S.3 1 UNL11111111 -0.0748 8 C 2.3991 0.0765 -0.3809 C.3 1 UNL11111111 -0.1819 9 H 2.2805 0.7316 -1.2574 H 1 UNL11111111 0.1509 10 C 3.7531 0.2818 0.3679 C.3 1 UNL11111111 -0.0771 11 H 3.6538 0.3749 1.4650 H 1 UNL11111111 0.1477 12 C 4.6000 1.4125 -0.1810 C.3 1 UNL11111111 -0.4544 13 C 4.1925 -1.1497 -0.0646 C.3 1 UNL11111111 -0.2906 14 C 2.8189 -1.3693 -0.7494 C.3 1 UNL11111111 -0.2845 15 H -4.2147 1.2911 0.5948 H 1 UNL11111111 0.1299 16 H -6.3760 0.5836 -0.4877 H 1 UNL11111111 0.1430 17 H -5.2308 1.1738 -1.6943 H 1 UNL11111111 0.1413 18 H -5.5110 -0.5636 -1.5138 H 1 UNL11111111 0.1446 19 H -3.8444 -0.8121 1.9016 H 1 UNL11111111 0.1440 20 H -5.5686 -0.5982 1.5910 H 1 UNL11111111 0.1417 21 H -4.6424 -1.7733 0.6515 H 1 UNL11111111 0.1445 22 H -2.9465 -1.0007 -1.0502 H 1 UNL11111111 0.1396 23 H -2.8387 0.7022 -1.5015 H 1 UNL11111111 0.1372 24 H -1.8076 1.2110 0.7884 H 1 UNL11111111 0.1486 25 H -1.8262 -0.5214 1.1490 H 1 UNL11111111 0.1499 26 H -0.3883 -0.9654 -0.9104 H 1 UNL11111111 0.1517 27 H -0.3630 0.7756 -1.2613 H 1 UNL11111111 0.1500 28 H 4.1285 2.3862 0.0058 H 1 UNL11111111 0.1522 29 H 5.5903 1.4308 0.2907 H 1 UNL11111111 0.1493 30 H 4.7546 1.3247 -1.2627 H 1 UNL11111111 0.1474 31 H 5.0473 -1.1760 -0.7433 H 1 UNL11111111 0.1422 32 H 4.3980 -1.8264 0.7676 H 1 UNL11111111 0.1422 33 H 2.2192 -2.1667 -0.3001 H 1 UNL11111111 0.1523 34 H 2.8729 -1.5599 -1.8245 H 1 UNL11111111 0.1395 @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 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1