@MOLECULE S-[(1S)-2,2-dimethylcyclopropyl] 5-methylhexanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9965 -0.1900 0.2120 C.3 1 UNL11111111 -0.0586 2 C 5.1914 -1.3046 -0.8221 C.3 1 UNL11111111 -0.4546 3 C 6.2271 0.7269 0.2196 C.3 1 UNL11111111 -0.4589 4 C 3.7327 0.6380 -0.0941 C.3 1 UNL11111111 -0.2914 5 C 2.4569 -0.1553 0.2058 C.3 1 UNL11111111 -0.2501 6 C 1.2117 0.7023 -0.0570 C.3 1 UNL11111111 -0.3664 7 C -0.0277 -0.1123 0.1437 C.2 1 UNL11111111 0.4430 8 O -0.0561 -1.2744 0.4279 O.2 1 UNL11111111 -0.4273 9 S -1.5654 0.8350 -0.1042 S.3 1 UNL11111111 -0.1041 10 C -2.8264 -0.3928 0.2429 C.3 1 UNL11111111 -0.2548 11 H -2.4424 -1.4153 0.1024 H 1 UNL11111111 0.1935 12 C -3.8365 -0.1612 1.3409 C.3 1 UNL11111111 -0.3438 13 C -4.2866 -0.1226 -0.1067 C.3 1 UNL11111111 0.0776 14 C -4.7088 1.1912 -0.7108 C.3 1 UNL11111111 -0.4481 15 C -5.0801 -1.2897 -0.6435 C.3 1 UNL11111111 -0.4481 16 H 4.8887 -0.6522 1.2230 H 1 UNL11111111 0.1316 17 H 6.0890 -1.8939 -0.6048 H 1 UNL11111111 0.1428 18 H 4.3416 -1.9957 -0.8330 H 1 UNL11111111 0.1460 19 H 5.3003 -0.8992 -1.8334 H 1 UNL11111111 0.1436 20 H 6.3644 1.2211 -0.7479 H 1 UNL11111111 0.1440 21 H 6.1420 1.5070 0.9828 H 1 UNL11111111 0.1409 22 H 7.1410 0.1608 0.4306 H 1 UNL11111111 0.1446 23 H 3.7461 1.5672 0.5065 H 1 UNL11111111 0.1367 24 H 3.7448 0.9616 -1.1511 H 1 UNL11111111 0.1389 25 H 2.4193 -1.0753 -0.4116 H 1 UNL11111111 0.1543 26 H 2.4582 -0.5098 1.2553 H 1 UNL11111111 0.1496 27 H 1.2164 1.5899 0.6124 H 1 UNL11111111 0.1780 28 H 1.2450 1.1114 -1.0909 H 1 UNL11111111 0.1789 29 H -4.1220 -0.9938 1.9797 H 1 UNL11111111 0.1643 30 H -3.8192 0.7528 1.9288 H 1 UNL11111111 0.1671 31 H -4.2837 2.0602 -0.1925 H 1 UNL11111111 0.1558 32 H -4.4092 1.2589 -1.7660 H 1 UNL11111111 0.1582 33 H -5.8005 1.3089 -0.6726 H 1 UNL11111111 0.1532 34 H -6.1497 -1.1754 -0.4220 H 1 UNL11111111 0.1550 35 H -4.9734 -1.3705 -1.7338 H 1 UNL11111111 0.1557 36 H -4.7620 -2.2483 -0.2149 H 1 UNL11111111 0.1527 @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 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 10 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 14 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 15 36 1