@MOLECULE S-[(1R)-2,2-dimethylcyclobutyl] hexanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.8260 -0.2792 0.1168 C.3 1 UNL11111111 -0.4414 2 C 5.5203 0.5118 0.0411 C.3 1 UNL11111111 -0.2500 3 C 4.3178 -0.4318 -0.0946 C.3 1 UNL11111111 -0.2731 4 C 3.0068 0.3615 -0.1210 C.3 1 UNL11111111 -0.2539 5 C 1.8037 -0.5906 -0.1459 C.3 1 UNL11111111 -0.3648 6 C 0.5278 0.1914 -0.1891 C.2 1 UNL11111111 0.4458 7 O 0.4134 1.2991 -0.6290 O.2 1 UNL11111111 -0.4351 8 S -0.9005 -0.7130 0.4829 S.3 1 UNL11111111 -0.1442 9 C -2.2771 0.4502 0.2535 C.3 1 UNL11111111 -0.1873 10 H -1.9088 1.3418 -0.2933 H 1 UNL11111111 0.1798 11 C -3.6022 -0.1191 -0.3717 C.3 1 UNL11111111 0.1087 12 C -4.0100 0.6436 -1.6233 C.3 1 UNL11111111 -0.4677 13 C -3.6706 -1.6153 -0.6132 C.3 1 UNL11111111 -0.4633 14 C -4.3671 0.3296 0.9178 C.3 1 UNL11111111 -0.3094 15 C -3.0404 0.8166 1.5493 C.3 1 UNL11111111 -0.2774 16 H 7.6887 0.3884 0.2220 H 1 UNL11111111 0.1420 17 H 6.8334 -0.9617 0.9739 H 1 UNL11111111 0.1419 18 H 6.9846 -0.8802 -0.7853 H 1 UNL11111111 0.1423 19 H 5.4091 1.1418 0.9444 H 1 UNL11111111 0.1360 20 H 5.5509 1.2132 -0.8143 H 1 UNL11111111 0.1368 21 H 4.4169 -1.0379 -1.0143 H 1 UNL11111111 0.1368 22 H 4.3126 -1.1527 0.7445 H 1 UNL11111111 0.1374 23 H 2.9430 1.0283 0.7608 H 1 UNL11111111 0.1471 24 H 2.9788 1.0347 -1.0015 H 1 UNL11111111 0.1558 25 H 1.8580 -1.2501 -1.0413 H 1 UNL11111111 0.1787 26 H 1.8498 -1.2762 0.7266 H 1 UNL11111111 0.1762 27 H -3.3260 0.4338 -2.4550 H 1 UNL11111111 0.1538 28 H -5.0195 0.3654 -1.9478 H 1 UNL11111111 0.1514 29 H -4.0069 1.7282 -1.4638 H 1 UNL11111111 0.1509 30 H -3.4290 -2.1984 0.2838 H 1 UNL11111111 0.1541 31 H -4.6811 -1.9135 -0.9209 H 1 UNL11111111 0.1481 32 H -2.9842 -1.9319 -1.4088 H 1 UNL11111111 0.1570 33 H -5.1073 1.1149 0.7516 H 1 UNL11111111 0.1447 34 H -4.8566 -0.4833 1.4576 H 1 UNL11111111 0.1442 35 H -2.7460 0.2684 2.4500 H 1 UNL11111111 0.1522 36 H -3.0132 1.8830 1.7947 H 1 UNL11111111 0.1461 @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 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1