@MOLECULE S-[(1S)-2,2-dimethylcyclobutyl] 2,2-dimethylpentanethioate 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.6345 -1.1150 -0.0671 C.3 1 UNL11111111 -0.4411 2 C 4.6013 0.0107 -0.0014 C.3 1 UNL11111111 -0.2451 3 C 3.1795 -0.5619 -0.0358 C.3 1 UNL11111111 -0.2866 4 C 2.0714 0.5173 0.0120 C.3 1 UNL11111111 0.0233 5 C 2.1126 1.2630 1.3459 C.3 1 UNL11111111 -0.4563 6 C 2.1994 1.4936 -1.1642 C.3 1 UNL11111111 -0.4551 7 C 0.7441 -0.2143 -0.1834 C.2 1 UNL11111111 0.4173 8 O 0.6526 -1.2766 -0.7300 O.2 1 UNL11111111 -0.4452 9 S -0.7582 0.6235 0.4130 S.3 1 UNL11111111 -0.1406 10 C -2.0689 -0.5469 -0.0593 C.3 1 UNL11111111 -0.1792 11 H -1.7292 -1.1316 -0.9365 H 1 UNL11111111 0.1757 12 C -3.5038 0.0618 -0.2627 C.3 1 UNL11111111 0.1094 13 C -3.6952 1.5283 0.0769 C.3 1 UNL11111111 -0.4650 14 C -4.0573 -0.2416 -1.6473 C.3 1 UNL11111111 -0.4679 15 C -4.0372 -0.9002 0.8506 C.3 1 UNL11111111 -0.3102 16 C -2.6063 -1.4417 1.0837 C.3 1 UNL11111111 -0.2772 17 H 6.6554 -0.7192 -0.0361 H 1 UNL11111111 0.1396 18 H 5.5249 -1.8100 0.7729 H 1 UNL11111111 0.1444 19 H 5.5348 -1.6969 -0.9908 H 1 UNL11111111 0.1459 20 H 4.7564 0.6063 0.9177 H 1 UNL11111111 0.1326 21 H 4.7558 0.7069 -0.8473 H 1 UNL11111111 0.1345 22 H 3.0545 -1.1773 -0.9515 H 1 UNL11111111 0.1606 23 H 3.0399 -1.2649 0.8085 H 1 UNL11111111 0.1472 24 H 3.1170 1.6586 1.5442 H 1 UNL11111111 0.1528 25 H 1.4362 2.1265 1.3696 H 1 UNL11111111 0.1606 26 H 1.8568 0.6100 2.1894 H 1 UNL11111111 0.1558 27 H 2.2310 0.9645 -2.1250 H 1 UNL11111111 0.1563 28 H 1.3687 2.2086 -1.2038 H 1 UNL11111111 0.1585 29 H 3.1205 2.0832 -1.0856 H 1 UNL11111111 0.1547 30 H -3.1520 2.1831 -0.6164 H 1 UNL11111111 0.1569 31 H -4.7554 1.8065 0.0165 H 1 UNL11111111 0.1479 32 H -3.3648 1.7712 1.0943 H 1 UNL11111111 0.1549 33 H -3.9404 -1.2983 -1.9146 H 1 UNL11111111 0.1508 34 H -5.1269 -0.0081 -1.7071 H 1 UNL11111111 0.1507 35 H -3.5462 0.3496 -2.4169 H 1 UNL11111111 0.1528 36 H -4.4766 -0.3935 1.7119 H 1 UNL11111111 0.1438 37 H -4.7543 -1.6433 0.4971 H 1 UNL11111111 0.1438 38 H -2.4862 -2.5144 0.9011 H 1 UNL11111111 0.1468 39 H -2.2059 -1.2338 2.0806 H 1 UNL11111111 0.1520 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 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 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 6 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1