@MOLECULE S-isobutyl (1R,2S)-2-methylcyclobutanecarbothioate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8705 -0.6369 -0.7133 C.3 1 UNL11111111 -0.0544 2 H -3.1239 -0.7253 -1.7850 H 1 UNL11111111 0.1380 3 C -2.3173 -1.9433 -0.1872 C.3 1 UNL11111111 -0.4655 4 C -4.0322 -0.0423 0.1369 C.3 1 UNL11111111 -0.2951 5 C -3.1797 1.2125 0.4415 C.3 1 UNL11111111 -0.2581 6 C -2.0196 0.6554 -0.4330 C.3 1 UNL11111111 -0.2472 7 H -1.8599 1.2549 -1.3493 H 1 UNL11111111 0.1698 8 C -0.7529 0.4259 0.3149 C.2 1 UNL11111111 0.4437 9 O -0.6344 0.4317 1.5073 O.2 1 UNL11111111 -0.4363 10 S 0.6938 0.1371 -0.7495 S.3 1 UNL11111111 -0.1449 11 C 2.0217 -0.0794 0.5048 C.3 1 UNL11111111 -0.3067 12 C 3.3708 -0.3361 -0.1747 C.3 1 UNL11111111 -0.0522 13 C 3.9133 0.9301 -0.8463 C.3 1 UNL11111111 -0.4563 14 C 4.3673 -0.8207 0.8907 C.3 1 UNL11111111 -0.4561 15 H -3.0703 -2.7397 -0.2447 H 1 UNL11111111 0.1513 16 H -1.4464 -2.2806 -0.7639 H 1 UNL11111111 0.1579 17 H -2.0092 -1.8689 0.8648 H 1 UNL11111111 0.1606 18 H -4.9479 0.1523 -0.4247 H 1 UNL11111111 0.1388 19 H -4.2973 -0.6328 1.0176 H 1 UNL11111111 0.1485 20 H -3.5994 2.1547 0.0828 H 1 UNL11111111 0.1410 21 H -2.9234 1.3352 1.5012 H 1 UNL11111111 0.1627 22 H 2.0650 0.8173 1.1516 H 1 UNL11111111 0.1692 23 H 1.7468 -0.9213 1.1686 H 1 UNL11111111 0.1654 24 H 3.2667 -1.1406 -0.9452 H 1 UNL11111111 0.1404 25 H 3.2818 1.2573 -1.6800 H 1 UNL11111111 0.1525 26 H 3.9810 1.7649 -0.1401 H 1 UNL11111111 0.1479 27 H 4.9168 0.7627 -1.2529 H 1 UNL11111111 0.1437 28 H 4.0250 -1.7418 1.3744 H 1 UNL11111111 0.1452 29 H 5.3471 -1.0291 0.4469 H 1 UNL11111111 0.1472 30 H 4.5165 -0.0689 1.6736 H 1 UNL11111111 0.1492 @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 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 3 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 11 22 1 23 11 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1