@MOLECULE S-(1-methylcyclobutyl) (2S)-2-methylbutanethioate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6407 0.3220 0.3760 C.3 1 UNL11111111 -0.4378 2 C 3.2838 0.6252 -0.2551 C.3 1 UNL11111111 -0.2473 3 C 2.2022 -0.3623 0.2228 C.3 1 UNL11111111 -0.1739 4 H 2.2890 -0.4777 1.3325 H 1 UNL11111111 0.1683 5 C 2.3518 -1.7328 -0.4436 C.3 1 UNL11111111 -0.4376 6 C 0.8475 0.1849 -0.1664 C.2 1 UNL11111111 0.4334 7 O 0.6439 0.8713 -1.1252 O.2 1 UNL11111111 -0.4327 8 S -0.4934 -0.3117 0.9563 S.3 1 UNL11111111 -0.1897 9 C -2.0220 0.3632 0.1766 C.3 1 UNL11111111 0.0717 10 C -2.0291 1.8705 0.2025 C.3 1 UNL11111111 -0.4695 11 C -2.3634 -0.2706 -1.2019 C.3 1 UNL11111111 -0.2893 12 C -3.6127 -0.9484 -0.5825 C.3 1 UNL11111111 -0.2718 13 C -3.2782 -0.3189 0.7952 C.3 1 UNL11111111 -0.2957 14 H 5.4048 1.0252 0.0228 H 1 UNL11111111 0.1441 15 H 4.6049 0.3994 1.4689 H 1 UNL11111111 0.1435 16 H 4.9884 -0.6871 0.1275 H 1 UNL11111111 0.1431 17 H 2.9803 1.6625 -0.0081 H 1 UNL11111111 0.1455 18 H 3.3558 0.5989 -1.3605 H 1 UNL11111111 0.1523 19 H 1.6310 -2.4617 -0.0520 H 1 UNL11111111 0.1555 20 H 2.2111 -1.6738 -1.5307 H 1 UNL11111111 0.1557 21 H 3.3537 -2.1440 -0.2687 H 1 UNL11111111 0.1545 22 H -1.2185 2.2968 -0.4110 H 1 UNL11111111 0.1737 23 H -2.9687 2.2710 -0.2050 H 1 UNL11111111 0.1559 24 H -1.9245 2.2774 1.2173 H 1 UNL11111111 0.1587 25 H -2.5810 0.4641 -1.9842 H 1 UNL11111111 0.1525 26 H -1.6235 -0.9624 -1.6121 H 1 UNL11111111 0.1528 27 H -4.5641 -0.6248 -1.0104 H 1 UNL11111111 0.1402 28 H -3.5864 -2.0409 -0.5969 H 1 UNL11111111 0.1428 29 H -3.0995 -1.0452 1.5930 H 1 UNL11111111 0.1528 30 H -4.0257 0.3894 1.1648 H 1 UNL11111111 0.1484 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 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 12 13 1 13 9 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 5 19 1 20 5 20 1 21 5 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1