@MOLECULE S-[(1S,2R)-2-methylcyclobutyl] hexanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.5462 -0.2656 -0.2861 C.3 1 UNL11111111 -0.4413 2 C 5.2379 0.5031 -0.1027 C.3 1 UNL11111111 -0.2500 3 C 4.0330 -0.4464 -0.1485 C.3 1 UNL11111111 -0.2732 4 C 2.7359 0.3165 0.1409 C.3 1 UNL11111111 -0.2537 5 C 1.5245 -0.6196 0.0399 C.3 1 UNL11111111 -0.3656 6 C 0.2680 0.1274 0.3639 C.2 1 UNL11111111 0.4448 7 O 0.2095 1.1335 1.0103 O.2 1 UNL11111111 -0.4329 8 S -1.2352 -0.6518 -0.3043 S.3 1 UNL11111111 -0.1440 9 C -2.5535 0.4635 0.2697 C.3 1 UNL11111111 -0.1695 10 H -2.1902 1.0303 1.1493 H 1 UNL11111111 0.1732 11 C -3.9535 -0.1875 0.5186 C.3 1 UNL11111111 -0.0785 12 H -4.3162 0.0415 1.5394 H 1 UNL11111111 0.1388 13 C -4.1331 -1.6617 0.2278 C.3 1 UNL11111111 -0.4531 14 C -4.5653 0.7600 -0.5587 C.3 1 UNL11111111 -0.2945 15 C -3.1682 1.3751 -0.8218 C.3 1 UNL11111111 -0.2771 16 H 6.6928 -1.0038 0.5101 H 1 UNL11111111 0.1424 17 H 6.5670 -0.8012 -1.2415 H 1 UNL11111111 0.1418 18 H 7.4090 0.4097 -0.2697 H 1 UNL11111111 0.1421 19 H 5.2546 1.0498 0.8595 H 1 UNL11111111 0.1373 20 H 5.1400 1.2764 -0.8882 H 1 UNL11111111 0.1355 21 H 3.9793 -0.9353 -1.1392 H 1 UNL11111111 0.1368 22 H 4.1683 -1.2625 0.5856 H 1 UNL11111111 0.1373 23 H 2.7758 0.7782 1.1483 H 1 UNL11111111 0.1559 24 H 2.6212 1.1618 -0.5652 H 1 UNL11111111 0.1473 25 H 1.4903 -1.0823 -0.9690 H 1 UNL11111111 0.1765 26 H 1.6406 -1.4702 0.7491 H 1 UNL11111111 0.1791 27 H -3.5436 -2.2877 0.9106 H 1 UNL11111111 0.1557 28 H -5.1843 -1.9557 0.3475 H 1 UNL11111111 0.1471 29 H -3.8465 -1.9288 -0.7973 H 1 UNL11111111 0.1549 30 H -5.0006 0.2455 -1.4186 H 1 UNL11111111 0.1453 31 H -5.3080 1.4612 -0.1728 H 1 UNL11111111 0.1412 32 H -3.0885 2.4449 -0.6039 H 1 UNL11111111 0.1471 33 H -2.7951 1.2214 -1.8390 H 1 UNL11111111 0.1530 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 13 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1