@MOLECULE S-[(1S,2S)-2-methylcyclobutyl] (1S)-2,2-dimethylcyclobutanecarbothioate 34 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8744 -0.6235 -0.0667 C.3 1 UNL11111111 0.1359 2 C -3.3843 -1.6264 0.9531 C.3 1 UNL11111111 -0.4697 3 C -2.2884 -1.3226 -1.2788 C.3 1 UNL11111111 -0.4782 4 C -3.9079 0.4884 -0.4357 C.3 1 UNL11111111 -0.3100 5 C -2.9725 1.5710 0.1505 C.3 1 UNL11111111 -0.2583 6 C -1.9507 0.4831 0.5857 C.3 1 UNL11111111 -0.2616 7 H -1.8917 0.3790 1.6853 H 1 UNL11111111 0.1730 8 C -0.6108 0.6259 -0.0444 C.2 1 UNL11111111 0.4466 9 O -0.3618 1.2845 -1.0134 O.2 1 UNL11111111 -0.4321 10 S 0.7069 -0.3097 0.7979 S.3 1 UNL11111111 -0.1603 11 C 2.1595 0.0662 -0.2384 C.3 1 UNL11111111 -0.1527 12 H 1.9056 -0.1012 -1.2994 H 1 UNL11111111 0.1667 13 C 3.4511 -0.6723 0.2298 C.3 1 UNL11111111 -0.0826 14 H 3.3440 -1.2173 1.1853 H 1 UNL11111111 0.1455 15 C 4.0657 -1.5706 -0.8243 C.3 1 UNL11111111 -0.4547 16 C 4.1536 0.7078 0.4136 C.3 1 UNL11111111 -0.2949 17 C 2.8434 1.4326 0.0138 C.3 1 UNL11111111 -0.2733 18 H -2.5721 -2.2615 1.3292 H 1 UNL11111111 0.1569 19 H -3.8448 -1.1362 1.8186 H 1 UNL11111111 0.1486 20 H -4.1405 -2.2883 0.5140 H 1 UNL11111111 0.1509 21 H -3.0526 -1.9122 -1.8000 H 1 UNL11111111 0.1522 22 H -1.8812 -0.6099 -2.0096 H 1 UNL11111111 0.1631 23 H -1.4812 -2.0121 -1.0025 H 1 UNL11111111 0.1588 24 H -4.1006 0.5875 -1.5066 H 1 UNL11111111 0.1476 25 H -4.8712 0.3953 0.0692 H 1 UNL11111111 0.1419 26 H -2.5846 2.2787 -0.5928 H 1 UNL11111111 0.1617 27 H -3.3943 2.1456 0.9782 H 1 UNL11111111 0.1405 28 H 4.1893 -1.0553 -1.7846 H 1 UNL11111111 0.1509 29 H 5.0576 -1.9225 -0.5148 H 1 UNL11111111 0.1494 30 H 3.4433 -2.4561 -1.0049 H 1 UNL11111111 0.1511 31 H 4.4916 0.9082 1.4320 H 1 UNL11111111 0.1414 32 H 4.9929 0.8822 -0.2626 H 1 UNL11111111 0.1441 33 H 2.9189 2.0601 -0.8804 H 1 UNL11111111 0.1491 34 H 2.4080 2.0480 0.8064 H 1 UNL11111111 0.1528 @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 11 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 16 17 1 18 11 17 1 19 2 18 1 20 2 19 1 21 2 20 1 22 3 21 1 23 3 22 1 24 3 23 1 25 4 24 1 26 4 25 1 27 5 26 1 28 5 27 1 29 15 28 1 30 15 29 1 31 15 30 1 32 16 31 1 33 16 32 1 34 17 33 1 35 17 34 1