@MOLECULE (1S,2S)-1-isohexylsulfanyl-2-methyl-cyclobutane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2924 -0.0646 -0.2079 C.3 1 UNL111 -0.0582 2 C -5.4122 -0.8876 0.4436 C.3 1 UNL111 -0.4569 3 C -4.5971 1.4308 -0.0619 C.3 1 UNL111 -0.4540 4 C -2.9436 -0.4192 0.4473 C.3 1 UNL111 -0.2891 5 C -1.7574 0.0800 -0.3924 C.3 1 UNL111 -0.2609 6 C -0.4473 -0.3231 0.2780 C.3 1 UNL111 -0.3087 7 S 0.9629 0.3160 -0.7206 S.3 1 UNL111 -0.0722 8 C 2.3778 -0.1297 0.3364 C.3 1 UNL111 -0.1824 9 H 2.1399 0.0763 1.3914 H 1 UNL111 0.1506 10 C 3.7134 0.5276 -0.1305 C.3 1 UNL111 -0.0776 11 H 3.6431 1.0573 -1.0983 H 1 UNL111 0.1475 12 C 4.3610 1.4171 0.9116 C.3 1 UNL111 -0.4544 13 C 4.3432 -0.8904 -0.2789 C.3 1 UNL111 -0.2915 14 C 2.9891 -1.5366 0.1126 C.3 1 UNL111 -0.2836 15 H -4.2461 -0.3199 -1.2939 H 1 UNL111 0.1304 16 H -6.3878 -0.6420 0.0106 H 1 UNL111 0.1432 17 H -5.2521 -1.9617 0.3042 H 1 UNL111 0.1414 18 H -5.4738 -0.6978 1.5204 H 1 UNL111 0.1443 19 H -3.8133 2.0467 -0.5154 H 1 UNL111 0.1441 20 H -5.5425 1.6921 -0.5485 H 1 UNL111 0.1416 21 H -4.6765 1.7215 0.9910 H 1 UNL111 0.1442 22 H -2.8977 0.0092 1.4650 H 1 UNL111 0.1396 23 H -2.8706 -1.5152 0.5774 H 1 UNL111 0.1377 24 H -1.8252 -0.3366 -1.4173 H 1 UNL111 0.1478 25 H -1.8210 1.1808 -0.5085 H 1 UNL111 0.1503 26 H -0.3914 0.0854 1.3021 H 1 UNL111 0.1498 27 H -0.3683 -1.4212 0.3611 H 1 UNL111 0.1519 28 H 4.4836 0.9054 1.8733 H 1 UNL111 0.1473 29 H 5.3558 1.7459 0.5873 H 1 UNL111 0.1492 30 H 3.7595 2.3174 1.0921 H 1 UNL111 0.1521 31 H 4.6849 -1.1262 -1.2888 H 1 UNL111 0.1420 32 H 5.1613 -1.0978 0.4136 H 1 UNL111 0.1422 33 H 3.0238 -2.1580 1.0113 H 1 UNL111 0.1393 34 H 2.5321 -2.1306 -0.6847 H 1 UNL111 0.1531 @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