@MOLECULE (1S,2S)-1-methyl-2-[(S)-[(1S,2R)-2-methylcyclopropyl]sulfinyl]cyclobutane 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9715 -0.6525 0.1252 C.3 1 UNL1111111 -0.0787 2 H -3.6222 -1.5179 -0.0679 H 1 UNL1111111 0.1441 3 C -3.5922 0.6316 -0.3490 C.3 1 UNL1111111 -0.4522 4 C -2.1341 -0.6708 1.3826 C.3 1 UNL1111111 -0.3156 5 C -1.4764 -0.9128 0.0466 C.3 1 UNL1111111 -0.4390 6 H -1.1549 -1.9294 -0.1988 H 1 UNL1111111 0.1666 7 S -0.3259 0.2816 -0.6814 S.O 1 UNL1111111 1.0863 8 O -0.6695 1.6214 -0.1356 O.2 1 UNL1111111 -0.8051 9 C 1.1533 -0.2539 0.2618 C.3 1 UNL1111111 -0.3629 10 H 0.9507 -0.2048 1.3427 H 1 UNL1111111 0.1643 11 C 2.4648 0.4878 -0.1368 C.3 1 UNL1111111 -0.0566 12 H 2.3537 1.1740 -0.9962 H 1 UNL1111111 0.1429 13 C 3.1525 1.1983 1.0118 C.3 1 UNL1111111 -0.4554 14 C 3.0985 -0.8783 -0.5411 C.3 1 UNL1111111 -0.2938 15 C 1.7691 -1.5980 -0.1922 C.3 1 UNL1111111 -0.2696 16 H -2.9991 1.5210 -0.0691 H 1 UNL1111111 0.1893 17 H -3.6989 0.6524 -1.4405 H 1 UNL1111111 0.1489 18 H -4.5887 0.7715 0.0884 H 1 UNL1111111 0.1471 19 H -1.9522 0.2659 1.9136 H 1 UNL1111111 0.1773 20 H -2.2282 -1.4864 2.0928 H 1 UNL1111111 0.1524 21 H 3.2643 0.5532 1.8906 H 1 UNL1111111 0.1464 22 H 4.1536 1.5414 0.7257 H 1 UNL1111111 0.1453 23 H 2.5777 2.0816 1.3258 H 1 UNL1111111 0.1611 24 H 3.3942 -0.9471 -1.5890 H 1 UNL1111111 0.1370 25 H 3.9503 -1.1803 0.0710 H 1 UNL1111111 0.1407 26 H 1.8558 -2.3389 0.6089 H 1 UNL1111111 0.1413 27 H 1.2930 -2.0891 -1.0448 H 1 UNL1111111 0.1378 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 14 15 1 16 9 15 1 17 3 16 1 18 3 17 1 19 3 18 1 20 4 19 1 21 4 20 1 22 13 21 1 23 13 22 1 24 13 23 1 25 14 24 1 26 14 25 1 27 15 26 1 28 15 27 1