@MOLECULE S-cyclobutyl 2,2-dimethylbutanethioate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4104 0.5560 0.2312 C.3 1 UNL111 -0.4338 2 C 2.9449 0.9494 0.0707 C.3 1 UNL111 -0.2633 3 C 1.9702 -0.2535 0.0253 C.3 1 UNL111 0.0246 4 C 2.2887 -1.1748 -1.1571 C.3 1 UNL111 -0.4545 5 C 2.0098 -1.0224 1.3462 C.3 1 UNL111 -0.4550 6 C 0.5817 0.3322 -0.2238 C.2 1 UNL111 0.4139 7 O 0.3990 1.4480 -0.6203 O.2 1 UNL111 -0.4447 8 S -0.8492 -0.7541 0.0755 S.3 1 UNL111 -0.1456 9 C -2.2551 0.3493 -0.2897 C.3 1 UNL111 -0.1381 10 C -3.4925 -0.3929 -0.8561 C.3 1 UNL111 -0.2768 11 C -4.3280 0.0723 0.3667 C.3 1 UNL111 -0.2734 12 C -3.0792 0.7862 0.9489 C.3 1 UNL111 -0.2772 13 H 5.0509 1.4468 0.2386 H 1 UNL111 0.1435 14 H 4.5918 0.0198 1.1688 H 1 UNL111 0.1418 15 H 4.7533 -0.0824 -0.5905 H 1 UNL111 0.1431 16 H 2.6472 1.6255 0.8971 H 1 UNL111 0.1463 17 H 2.8246 1.5516 -0.8546 H 1 UNL111 0.1561 18 H 3.2893 -1.6123 -1.0529 H 1 UNL111 0.1566 19 H 1.5854 -2.0125 -1.2352 H 1 UNL111 0.1582 20 H 2.2678 -0.6317 -2.1100 H 1 UNL111 0.1550 21 H 1.6541 -0.4124 2.1854 H 1 UNL111 0.1541 22 H 1.4110 -1.9410 1.3209 H 1 UNL111 0.1596 23 H 3.0346 -1.3337 1.5870 H 1 UNL111 0.1553 24 H -1.9179 1.1964 -0.9158 H 1 UNL111 0.1753 25 H -3.8381 -0.0050 -1.8192 H 1 UNL111 0.1458 26 H -3.4042 -1.4788 -0.9541 H 1 UNL111 0.1517 27 H -5.1584 0.7385 0.1225 H 1 UNL111 0.1408 28 H -4.7149 -0.7409 0.9849 H 1 UNL111 0.1414 29 H -2.7433 0.3937 1.9129 H 1 UNL111 0.1527 30 H -3.1795 1.8710 1.0538 H 1 UNL111 0.1464 @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 10 11 1 11 11 12 1 12 9 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 5 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1