@MOLECULE 1-methyl-1-[(S)-[(1R,2R)-2-methylcyclobutyl]sulfinyl]cyclobutane 30 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5036 0.5281 -0.4293 C.3 1 UNL111111 -0.0660 2 H -2.5238 0.2531 -1.4998 H 1 UNL111111 0.1440 3 C -2.9976 1.9490 -0.2386 C.3 1 UNL111111 -0.4555 4 C -3.2069 -0.5391 0.4621 C.3 1 UNL111111 -0.2895 5 C -1.8420 -0.9004 1.1021 C.3 1 UNL111111 -0.2632 6 C -1.1518 0.2173 0.2841 C.3 1 UNL111111 -0.3610 7 H -0.7986 1.0501 0.9086 H 1 UNL111111 0.1534 8 S 0.1841 -0.2969 -0.8576 S.O 1 UNL111111 0.9998 9 O 0.0336 -1.7622 -1.0687 O.2 1 UNL111111 -0.7860 10 C 1.6335 -0.1162 0.2841 C.3 1 UNL111111 -0.1305 11 C 1.5954 -1.1238 1.4054 C.3 1 UNL111111 -0.4610 12 C 2.9731 -0.0977 -0.5095 C.3 1 UNL111111 -0.2719 13 C 3.2201 1.3667 -0.0662 C.3 1 UNL111111 -0.2720 14 C 1.8878 1.3523 0.7288 C.3 1 UNL111111 -0.2929 15 H -2.9908 2.2485 0.8159 H 1 UNL111111 0.1460 16 H -2.3789 2.6667 -0.7901 H 1 UNL111111 0.1452 17 H -4.0283 2.0585 -0.5981 H 1 UNL111111 0.1461 18 H -3.9428 -0.1363 1.1596 H 1 UNL111111 0.1381 19 H -3.6754 -1.3530 -0.0959 H 1 UNL111111 0.1448 20 H -1.7947 -0.7665 2.1850 H 1 UNL111111 0.1343 21 H -1.5034 -1.9211 0.8707 H 1 UNL111111 0.1699 22 H 1.4966 -2.1548 1.0209 H 1 UNL111111 0.1773 23 H 2.5152 -1.0988 2.0052 H 1 UNL111111 0.1513 24 H 0.7603 -0.9562 2.0971 H 1 UNL111111 0.1478 25 H 3.7141 -0.8147 -0.1426 H 1 UNL111111 0.1460 26 H 2.8988 -0.2415 -1.5910 H 1 UNL111111 0.1489 27 H 4.1121 1.5119 0.5461 H 1 UNL111111 0.1360 28 H 3.2507 2.0893 -0.8845 H 1 UNL111111 0.1377 29 H 1.1627 2.0990 0.3985 H 1 UNL111111 0.1372 30 H 2.0092 1.4697 1.8101 H 1 UNL111111 0.1457 @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 10 12 1 13 12 13 1 14 13 14 1 15 10 14 1 16 3 15 1 17 3 16 1 18 3 17 1 19 4 18 1 20 4 19 1 21 5 20 1 22 5 21 1 23 11 22 1 24 11 23 1 25 11 24 1 26 12 25 1 27 12 26 1 28 13 27 1 29 13 28 1 30 14 29 1 31 14 30 1