@MOLECULE S-[(1S)-2,2-dimethylcyclobutyl] 3-methylbutanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3823 -0.3357 0.1960 C.3 1 UNL11111111 -0.0355 2 C 2.9127 -1.6081 -0.5156 C.3 1 UNL11111111 -0.4579 3 C 4.8100 0.0183 -0.2312 C.3 1 UNL11111111 -0.4595 4 C 2.4391 0.8426 -0.1308 C.3 1 UNL11111111 -0.3847 5 C 1.0929 0.6064 0.4784 C.2 1 UNL11111111 0.4477 6 O 0.9043 0.0980 1.5465 O.2 1 UNL11111111 -0.4377 7 S -0.2988 1.1851 -0.5400 S.3 1 UNL11111111 -0.1441 8 C -1.7417 0.5858 0.3893 C.3 1 UNL11111111 -0.1817 9 H -1.4928 0.5789 1.4687 H 1 UNL11111111 0.1755 10 C -2.4135 -0.7610 -0.0658 C.3 1 UNL11111111 0.1071 11 C -1.8583 -1.4312 -1.3084 C.3 1 UNL11111111 -0.4605 12 C -2.5110 -1.7583 1.0791 C.3 1 UNL11111111 -0.4681 13 C -3.7403 0.0264 -0.3293 C.3 1 UNL11111111 -0.3085 14 C -3.0457 1.3527 0.0651 C.3 1 UNL11111111 -0.2769 15 H 3.3643 -0.5109 1.3019 H 1 UNL11111111 0.1502 16 H 3.5879 -2.4467 -0.3125 H 1 UNL11111111 0.1465 17 H 1.9139 -1.9086 -0.1760 H 1 UNL11111111 0.1512 18 H 2.8702 -1.4763 -1.6019 H 1 UNL11111111 0.1461 19 H 4.8846 0.1631 -1.3145 H 1 UNL11111111 0.1461 20 H 5.1615 0.9361 0.2523 H 1 UNL11111111 0.1434 21 H 5.5109 -0.7801 0.0397 H 1 UNL11111111 0.1474 22 H 2.8585 1.7875 0.2817 H 1 UNL11111111 0.1781 23 H 2.3999 0.9938 -1.2289 H 1 UNL11111111 0.1766 24 H -0.8506 -1.8301 -1.1395 H 1 UNL11111111 0.1525 25 H -2.4928 -2.2734 -1.6132 H 1 UNL11111111 0.1479 26 H -1.8041 -0.7482 -2.1650 H 1 UNL11111111 0.1559 27 H -2.9454 -1.3102 1.9804 H 1 UNL11111111 0.1497 28 H -3.1358 -2.6170 0.8075 H 1 UNL11111111 0.1505 29 H -1.5197 -2.1424 1.3545 H 1 UNL11111111 0.1578 30 H -4.0892 -0.0138 -1.3630 H 1 UNL11111111 0.1442 31 H -4.5714 -0.2619 0.3172 H 1 UNL11111111 0.1441 32 H -3.4870 1.8611 0.9286 H 1 UNL11111111 0.1458 33 H -2.9868 2.0848 -0.7465 H 1 UNL11111111 0.1510 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 11 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1