@MOLECULE (1S,2S)-1-[(R)-1,1-dimethylbutylsulfinyl]-2-methyl-cyclobutane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5720 0.6364 0.9232 C.3 1 UNL1111 -0.4427 2 C 3.1646 0.8912 0.3781 C.3 1 UNL1111 -0.2468 3 C 2.5830 -0.4029 -0.2090 C.3 1 UNL1111 -0.2862 4 C 1.1742 -0.2714 -0.8110 C.3 1 UNL1111 -0.0893 5 C 1.0962 0.8784 -1.8102 C.3 1 UNL1111 -0.4605 6 C 0.8161 -1.5905 -1.4935 C.3 1 UNL1111 -0.4677 7 S -0.0147 0.0533 0.6115 S.O 1 UNL1111 0.9805 8 O 0.0303 -1.1955 1.4237 O.2 1 UNL1111 -0.7920 9 C -1.6179 0.0412 -0.2750 C.3 1 UNL1111 -0.3543 10 H -1.4836 0.4104 -1.3014 H 1 UNL1111 0.1527 11 C -2.7553 0.7903 0.4850 C.3 1 UNL1111 -0.0686 12 H -2.4881 1.0985 1.5122 H 1 UNL1111 0.1431 13 C -3.3487 1.9586 -0.2784 C.3 1 UNL1111 -0.4563 14 C -3.6093 -0.5132 0.4688 C.3 1 UNL1111 -0.2919 15 C -2.4361 -1.2704 -0.2051 C.3 1 UNL1111 -0.2641 16 H 5.0092 1.5517 1.3356 H 1 UNL1111 0.1368 17 H 4.5590 -0.1116 1.7251 H 1 UNL1111 0.1489 18 H 5.2473 0.2713 0.1423 H 1 UNL1111 0.1390 19 H 2.5234 1.2812 1.1909 H 1 UNL1111 0.1430 20 H 3.2010 1.6820 -0.3929 H 1 UNL1111 0.1290 21 H 3.2713 -0.7769 -0.9948 H 1 UNL1111 0.1402 22 H 2.5857 -1.1960 0.5713 H 1 UNL1111 0.1642 23 H 1.9296 0.8184 -2.5257 H 1 UNL1111 0.1567 24 H 0.1781 0.8588 -2.4096 H 1 UNL1111 0.1433 25 H 1.1649 1.8652 -1.3363 H 1 UNL1111 0.1493 26 H 0.8127 -2.4297 -0.7785 H 1 UNL1111 0.1723 27 H -0.1697 -1.5714 -1.9710 H 1 UNL1111 0.1451 28 H 1.5417 -1.8435 -2.2765 H 1 UNL1111 0.1492 29 H -3.6266 1.6829 -1.3023 H 1 UNL1111 0.1458 30 H -4.2562 2.3302 0.2131 H 1 UNL1111 0.1462 31 H -2.6429 2.7951 -0.3414 H 1 UNL1111 0.1450 32 H -3.8799 -0.8862 1.4594 H 1 UNL1111 0.1443 33 H -4.5174 -0.4549 -0.1333 H 1 UNL1111 0.1384 34 H -2.6720 -1.7132 -1.1749 H 1 UNL1111 0.1337 35 H -1.9967 -2.0576 0.4267 H 1 UNL1111 0.1736 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 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 5 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 6 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1