@MOLECULE S-[(1R)-2,2-dimethylcyclobutyl] pentanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.0259 0.3718 0.0440 C.3 1 UNL11111111 -0.4398 2 C 4.8097 -0.5518 0.1021 C.3 1 UNL11111111 -0.2515 3 C 3.5190 0.2386 -0.1431 C.3 1 UNL11111111 -0.2515 4 C 2.2932 -0.6746 -0.0127 C.3 1 UNL11111111 -0.3678 5 C 1.0373 0.1127 -0.2221 C.2 1 UNL11111111 0.4453 6 O 0.9667 1.1626 -0.7931 O.2 1 UNL11111111 -0.4334 7 S -0.4432 -0.6902 0.4673 S.3 1 UNL11111111 -0.1454 8 C -1.7745 0.4708 0.0393 C.3 1 UNL11111111 -0.1852 9 H -1.4203 1.1413 -0.7692 H 1 UNL11111111 0.1778 10 C -3.1793 -0.1571 -0.2813 C.3 1 UNL11111111 0.1093 11 C -3.6765 0.2456 -1.6618 C.3 1 UNL11111111 -0.4677 12 C -3.3384 -1.6516 -0.0729 C.3 1 UNL11111111 -0.4649 13 C -3.7903 0.6925 0.8825 C.3 1 UNL11111111 -0.3091 14 C -2.3874 1.2456 1.2309 C.3 1 UNL11111111 -0.2777 15 H 5.9767 1.1496 0.8148 H 1 UNL11111111 0.1448 16 H 6.9566 -0.1851 0.1987 H 1 UNL11111111 0.1405 17 H 6.1022 0.8761 -0.9261 H 1 UNL11111111 0.1457 18 H 4.9115 -1.3585 -0.6483 H 1 UNL11111111 0.1338 19 H 4.7686 -1.0562 1.0865 H 1 UNL11111111 0.1342 20 H 3.4433 1.0802 0.5728 H 1 UNL11111111 0.1486 21 H 3.5389 0.7095 -1.1464 H 1 UNL11111111 0.1546 22 H 2.3467 -1.4930 -0.7656 H 1 UNL11111111 0.1785 23 H 2.3067 -1.1831 0.9749 H 1 UNL11111111 0.1766 24 H -3.0911 -0.2419 -2.4514 H 1 UNL11111111 0.1534 25 H -4.7256 -0.0392 -1.8054 H 1 UNL11111111 0.1515 26 H -3.6084 1.3278 -1.8241 H 1 UNL11111111 0.1511 27 H -3.0316 -1.9728 0.9300 H 1 UNL11111111 0.1545 28 H -4.3878 -1.9509 -0.1913 H 1 UNL11111111 0.1487 29 H -2.7547 -2.2300 -0.8002 H 1 UNL11111111 0.1573 30 H -4.5093 1.4477 0.5590 H 1 UNL11111111 0.1446 31 H -4.2561 0.1032 1.6746 H 1 UNL11111111 0.1443 32 H -2.0271 0.9597 2.2240 H 1 UNL11111111 0.1524 33 H -2.2905 2.3331 1.1502 H 1 UNL11111111 0.1467 @BOND 1 1 2 1 2 2 3 1 3 3 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 1 16 1 17 1 17 1 18 2 18 1 19 2 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