@MOLECULE (2R)-2-[(1R)-1-methylpropyl]sulfanylpentane 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5028 -0.4372 -1.3620 C.3 1 UNL1111111 -0.4391 2 C -3.0256 -0.7669 0.0522 C.3 1 UNL1111111 -0.2591 3 C -1.8859 0.1456 0.5188 C.3 1 UNL1111111 -0.1026 4 H -2.1089 1.2001 0.2376 H 1 UNL1111111 0.1448 5 C -1.6939 0.0408 2.0268 C.3 1 UNL1111111 -0.4604 6 S -0.3454 -0.3690 -0.3830 S.3 1 UNL1111111 -0.1383 7 C 0.9138 0.8869 0.1525 C.3 1 UNL1111111 -0.1067 8 H 0.9419 0.8908 1.2662 H 1 UNL1111111 0.1447 9 C 0.5480 2.2748 -0.3582 C.3 1 UNL1111111 -0.4585 10 C 2.2727 0.4475 -0.3999 C.3 1 UNL1111111 -0.2805 11 C 2.8681 -0.7371 0.3743 C.3 1 UNL1111111 -0.2501 12 C 4.2641 -1.0722 -0.1532 C.3 1 UNL1111111 -0.4388 13 H -2.7288 -0.6349 -2.1145 H 1 UNL1111111 0.1577 14 H -4.3756 -1.0424 -1.6324 H 1 UNL1111111 0.1411 15 H -3.7881 0.6159 -1.4585 H 1 UNL1111111 0.1414 16 H -3.8788 -0.6632 0.7557 H 1 UNL1111111 0.1401 17 H -2.7337 -1.8348 0.1171 H 1 UNL1111111 0.1502 18 H -1.4116 -0.9738 2.3398 H 1 UNL1111111 0.1600 19 H -0.9229 0.7258 2.3997 H 1 UNL1111111 0.1464 20 H -2.6207 0.2935 2.5596 H 1 UNL1111111 0.1491 21 H 0.4909 2.3114 -1.4547 H 1 UNL1111111 0.1596 22 H -0.4160 2.6245 0.0300 H 1 UNL1111111 0.1464 23 H 1.2984 3.0163 -0.0512 H 1 UNL1111111 0.1497 24 H 2.2078 0.2016 -1.4788 H 1 UNL1111111 0.1527 25 H 2.9776 1.3037 -0.3478 H 1 UNL1111111 0.1440 26 H 2.9162 -0.5023 1.4540 H 1 UNL1111111 0.1320 27 H 2.2158 -1.6282 0.2892 H 1 UNL1111111 0.1500 28 H 4.7065 -1.9068 0.4020 H 1 UNL1111111 0.1407 29 H 4.2316 -1.3619 -1.2098 H 1 UNL1111111 0.1439 30 H 4.9451 -0.2191 -0.0640 H 1 UNL1111111 0.1397 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 9 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 12 30 1