@MOLECULE S-(1-methylcyclopropyl) 3-methylbutanethioate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.9766 -0.0784 0.3232 C.3 1 UNL11111111 -0.0350 2 C 3.1607 -1.2863 -0.5996 C.3 1 UNL11111111 -0.4578 3 C 4.2394 0.7888 0.3236 C.3 1 UNL11111111 -0.4601 4 C 1.7685 0.7676 -0.1326 C.3 1 UNL11111111 -0.3879 5 C 0.4821 0.0669 0.1723 C.2 1 UNL11111111 0.4463 6 O 0.3475 -0.8268 0.9556 O.2 1 UNL11111111 -0.4224 7 S -0.9328 0.7330 -0.7684 S.3 1 UNL11111111 -0.1384 8 C -2.3603 -0.1586 -0.0973 C.3 1 UNL11111111 -0.0072 9 C -2.3888 -1.6112 -0.4635 C.3 1 UNL11111111 -0.4431 10 C -2.9175 0.2840 1.2414 C.3 1 UNL11111111 -0.3127 11 C -3.6516 0.6333 -0.0269 C.3 1 UNL11111111 -0.3208 12 H 2.7861 -0.4453 1.3637 H 1 UNL11111111 0.1501 13 H 4.0036 -1.9068 -0.2756 H 1 UNL11111111 0.1460 14 H 2.2695 -1.9265 -0.5963 H 1 UNL11111111 0.1546 15 H 3.3525 -0.9851 -1.6341 H 1 UNL11111111 0.1437 16 H 4.4540 1.1932 -0.6712 H 1 UNL11111111 0.1456 17 H 4.1510 1.6322 1.0164 H 1 UNL11111111 0.1430 18 H 5.1151 0.2062 0.6329 H 1 UNL11111111 0.1480 19 H 1.7812 1.7513 0.3884 H 1 UNL11111111 0.1798 20 H 1.8701 1.0079 -1.2118 H 1 UNL11111111 0.1798 21 H -1.5426 -2.1590 -0.0148 H 1 UNL11111111 0.1736 22 H -3.3023 -2.1067 -0.1044 H 1 UNL11111111 0.1549 23 H -2.3497 -1.7715 -1.5504 H 1 UNL11111111 0.1599 24 H -3.3199 -0.4670 1.9182 H 1 UNL11111111 0.1646 25 H -2.4276 1.0631 1.8205 H 1 UNL11111111 0.1662 26 H -3.6963 1.6673 -0.3619 H 1 UNL11111111 0.1666 27 H -4.5878 0.1351 -0.2705 H 1 UNL11111111 0.1628 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 8 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 9 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1