@MOLECULE (1S,2S)-1-methyl-2-pentylsulfanyl-cyclopropane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5161 0.5812 0.0571 C.3 1 UNL11111111 -0.4396 2 C 4.3025 -0.2930 -0.2579 C.3 1 UNL11111111 -0.2499 3 C 3.0040 0.3944 0.1855 C.3 1 UNL11111111 -0.2703 4 C 1.7918 -0.5020 -0.1129 C.3 1 UNL11111111 -0.2654 5 C 0.5055 0.2021 0.3072 C.3 1 UNL11111111 -0.3100 6 S -0.9190 -0.9140 -0.0424 S.3 1 UNL11111111 -0.0307 7 C -2.3134 0.1151 0.4394 C.3 1 UNL11111111 -0.2522 8 H -2.4361 0.1579 1.5259 H 1 UNL11111111 0.1707 9 C -2.7036 1.3251 -0.3784 C.3 1 UNL11111111 -0.3345 10 C -3.5574 0.0784 -0.4324 C.3 1 UNL11111111 -0.0981 11 H -3.5393 -0.5179 -1.3556 H 1 UNL11111111 0.1637 12 C -4.9077 0.0634 0.2315 C.3 1 UNL11111111 -0.4391 13 H 5.5958 0.7853 1.1305 H 1 UNL11111111 0.1426 14 H 6.4473 0.0956 -0.2554 H 1 UNL11111111 0.1405 15 H 5.4592 1.5461 -0.4586 H 1 UNL11111111 0.1424 16 H 4.2647 -0.5113 -1.3420 H 1 UNL11111111 0.1348 17 H 4.4032 -1.2742 0.2434 H 1 UNL11111111 0.1351 18 H 3.0492 0.6267 1.2657 H 1 UNL11111111 0.1379 19 H 2.8968 1.3662 -0.3309 H 1 UNL11111111 0.1374 20 H 1.7729 -0.7503 -1.1934 H 1 UNL11111111 0.1484 21 H 1.9090 -1.4677 0.4195 H 1 UNL11111111 0.1493 22 H 0.5236 0.4529 1.3822 H 1 UNL11111111 0.1528 23 H 0.3757 1.1510 -0.2424 H 1 UNL11111111 0.1524 24 H -3.0686 2.2133 0.1316 H 1 UNL11111111 0.1602 25 H -2.1227 1.6179 -1.2498 H 1 UNL11111111 0.1643 26 H -5.6761 0.4833 -0.4317 H 1 UNL11111111 0.1533 27 H -5.2119 -0.9621 0.4833 H 1 UNL11111111 0.1547 28 H -4.9288 0.6456 1.1609 H 1 UNL11111111 0.1491 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 9 24 1 25 9 25 1 26 12 26 1 27 12 27 1 28 12 28 1