@MOLECULE S-pentyl (1R,2S)-2-methylcyclopropanecarbothioate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2495 0.0547 0.3063 C.3 1 UNL111 -0.0717 2 H -4.9887 -0.4234 0.9656 H 1 UNL111 0.1526 3 C -4.2584 1.5504 0.4333 C.3 1 UNL111 -0.4461 4 C -3.9608 -0.5965 -1.0194 C.3 1 UNL111 -0.2952 5 C -2.9430 -0.7249 0.1028 C.3 1 UNL111 -0.3113 6 H -2.8756 -1.6948 0.6175 H 1 UNL111 0.1852 7 C -1.6601 -0.0122 -0.0446 C.2 1 UNL111 0.4532 8 O -1.5183 1.1309 -0.3823 O.2 1 UNL111 -0.4445 9 S -0.2103 -1.0424 0.3180 S.3 1 UNL111 -0.1241 10 C 1.1558 0.1776 0.1504 C.3 1 UNL111 -0.2931 11 C 2.4835 -0.5577 0.0092 C.3 1 UNL111 -0.2690 12 C 3.6353 0.4602 -0.0097 C.3 1 UNL111 -0.2708 13 C 4.9893 -0.2532 -0.1172 C.3 1 UNL111 -0.2500 14 C 6.1367 0.7570 -0.1032 C.3 1 UNL111 -0.4380 15 H -5.2705 1.9538 0.3013 H 1 UNL111 0.1508 16 H -3.8951 1.8714 1.4189 H 1 UNL111 0.1567 17 H -3.6144 2.0440 -0.3118 H 1 UNL111 0.1761 18 H -4.5135 -1.4774 -1.3341 H 1 UNL111 0.1600 19 H -3.7220 0.0247 -1.8822 H 1 UNL111 0.1716 20 H 0.9641 0.8323 -0.7231 H 1 UNL111 0.1726 21 H 1.1553 0.8388 1.0372 H 1 UNL111 0.1626 22 H 2.6386 -1.2734 0.8405 H 1 UNL111 0.1473 23 H 2.5068 -1.1622 -0.9203 H 1 UNL111 0.1491 24 H 3.5100 1.1618 -0.8557 H 1 UNL111 0.1409 25 H 3.6095 1.0809 0.9056 H 1 UNL111 0.1395 26 H 5.1091 -0.9700 0.7172 H 1 UNL111 0.1344 27 H 5.0281 -0.8572 -1.0436 H 1 UNL111 0.1350 28 H 7.1079 0.2563 -0.1823 H 1 UNL111 0.1401 29 H 6.0608 1.4615 -0.9390 H 1 UNL111 0.1434 30 H 6.1437 1.3429 0.8227 H 1 UNL111 0.1429 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 3 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 10 20 1 21 10 21 1 22 11 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1