@MOLECULE S-[(1R,2R)-2-methylcyclobutyl] 5-methylhexanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.9108 -0.0731 -0.4151 C.3 1 UNL11111111 -0.0584 2 C -6.1528 -0.8211 0.0882 C.3 1 UNL11111111 -0.4591 3 C -5.1804 1.4358 -0.4177 C.3 1 UNL11111111 -0.4545 4 C -3.7022 -0.4223 0.4752 C.3 1 UNL11111111 -0.2896 5 C -2.3879 0.0679 -0.1414 C.3 1 UNL11111111 -0.2517 6 C -1.1926 -0.3920 0.7048 C.3 1 UNL11111111 -0.3655 7 C 0.0757 0.1753 0.1473 C.2 1 UNL11111111 0.4466 8 O 0.1655 1.2163 -0.4373 O.2 1 UNL11111111 -0.4339 9 S 1.5427 -0.8567 0.4541 S.3 1 UNL11111111 -0.1517 10 C 2.8940 0.1103 -0.2884 C.3 1 UNL11111111 -0.1670 11 H 2.5486 1.1396 -0.5024 H 1 UNL11111111 0.1788 12 C 4.2250 0.0569 0.5238 C.3 1 UNL11111111 -0.0834 13 H 4.2059 -0.6399 1.3811 H 1 UNL11111111 0.1459 14 C 4.7375 1.4140 0.9601 C.3 1 UNL11111111 -0.4539 15 C 4.9398 -0.5537 -0.7201 C.3 1 UNL11111111 -0.2937 16 C 3.5973 -0.5594 -1.4952 C.3 1 UNL11111111 -0.2775 17 H -4.6954 -0.4027 -1.4602 H 1 UNL11111111 0.1305 18 H -7.0273 -0.5985 -0.5328 H 1 UNL11111111 0.1445 19 H -6.0044 -1.9056 0.0682 H 1 UNL11111111 0.1407 20 H -6.4011 -0.5386 1.1167 H 1 UNL11111111 0.1445 21 H -4.3370 1.9952 -0.8376 H 1 UNL11111111 0.1463 22 H -6.0643 1.6791 -1.0171 H 1 UNL11111111 0.1428 23 H -5.3555 1.8143 0.5949 H 1 UNL11111111 0.1443 24 H -3.8400 0.0144 1.4813 H 1 UNL11111111 0.1394 25 H -3.6610 -1.5182 0.6242 H 1 UNL11111111 0.1371 26 H -2.2855 -0.3062 -1.1781 H 1 UNL11111111 0.1455 27 H -2.3888 1.1742 -0.2243 H 1 UNL11111111 0.1583 28 H -1.3138 -0.0428 1.7556 H 1 UNL11111111 0.1792 29 H -1.1776 -1.5004 0.7635 H 1 UNL11111111 0.1754 30 H 4.0888 1.8553 1.7280 H 1 UNL11111111 0.1523 31 H 5.7466 1.3389 1.3837 H 1 UNL11111111 0.1499 32 H 4.7861 2.1252 0.1264 H 1 UNL11111111 0.1514 33 H 5.7123 0.0832 -1.1562 H 1 UNL11111111 0.1453 34 H 5.3714 -1.5421 -0.5504 H 1 UNL11111111 0.1413 35 H 3.2389 -1.5565 -1.7682 H 1 UNL11111111 0.1527 36 H 3.5914 0.0498 -2.4047 H 1 UNL11111111 0.1471 @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 12 14 1 14 12 15 1 15 15 16 1 16 10 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 6 28 1 29 6 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1