@MOLECULE s-(2-acetamidoethyl) (2e)-2-decenethioate 43 42 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.8577 -1.0478 0.9310 S.3 1 UNL1111111111 -0.1136 2 O -1.4910 -1.2748 -1.3168 O.2 1 UNL1111111111 -0.4516 3 O -6.8918 0.7525 -0.3544 O.2 1 UNL1111111111 -0.5384 4 N -4.6889 1.2533 -0.3870 N.am 1 UNL1111111111 -0.6081 5 C 5.7577 0.4883 -0.3807 C.3 1 UNL1111111111 -0.2744 6 C 4.7519 -0.3247 0.4437 C.3 1 UNL1111111111 -0.2729 7 C 7.1472 0.4473 0.2670 C.3 1 UNL1111111111 -0.2736 8 C 3.3651 -0.2921 -0.2093 C.3 1 UNL1111111111 -0.2623 9 C 8.1539 1.2650 -0.5532 C.3 1 UNL1111111111 -0.2507 10 C 2.3695 -1.1454 0.5899 C.3 1 UNL1111111111 -0.3091 11 C 9.5414 1.2207 0.0872 C.3 1 UNL1111111111 -0.4395 12 C 1.0362 -1.1674 -0.0720 C.2 1 UNL1111111111 0.0117 13 C -0.1211 -1.1232 0.6061 C.2 1 UNL1111111111 -0.3544 14 C -1.3864 -1.1720 -0.1227 C.2 1 UNL1111111111 0.4386 15 C -4.2262 -1.1917 -0.2738 C.3 1 UNL1111111111 -0.3302 16 C -4.3781 0.0500 -1.1599 C.3 1 UNL1111111111 -0.0569 17 C -5.9942 1.4799 0.0178 C.2 1 UNL1111111111 0.6085 18 C -6.2079 2.6861 0.8896 C.3 1 UNL1111111111 -0.5334 19 H 5.4143 1.5358 -0.4730 H 1 UNL1111111111 0.1379 20 H 5.8103 0.0944 -1.4131 H 1 UNL1111111111 0.1384 21 H 5.1033 -1.3693 0.5409 H 1 UNL1111111111 0.1382 22 H 4.6983 0.0741 1.4740 H 1 UNL1111111111 0.1376 23 H 7.0974 0.8381 1.3003 H 1 UNL1111111111 0.1369 24 H 7.4948 -0.5988 0.3557 H 1 UNL1111111111 0.1371 25 H 3.0010 0.7512 -0.2745 H 1 UNL1111111111 0.1431 26 H 3.4315 -0.6566 -1.2524 H 1 UNL1111111111 0.1425 27 H 8.2030 0.8775 -1.5884 H 1 UNL1111111111 0.1344 28 H 7.8103 2.3134 -0.6379 H 1 UNL1111111111 0.1342 29 H 2.7489 -2.1890 0.6770 H 1 UNL1111111111 0.1658 30 H 2.3073 -0.7737 1.6336 H 1 UNL1111111111 0.1573 31 H 9.9209 0.1948 0.1496 H 1 UNL1111111111 0.1428 32 H 9.5267 1.6294 1.1037 H 1 UNL1111111111 0.1426 33 H 10.2650 1.8046 -0.4922 H 1 UNL1111111111 0.1416 34 H 1.0500 -1.2354 -1.1670 H 1 UNL1111111111 0.1640 35 H -0.1541 -1.0547 1.6924 H 1 UNL1111111111 0.1808 36 H -4.0784 -2.0890 -0.9059 H 1 UNL1111111111 0.1759 37 H -5.1552 -1.3623 0.3120 H 1 UNL1111111111 0.1857 38 H -5.2065 -0.1320 -1.8942 H 1 UNL1111111111 0.1714 39 H -3.4581 0.2309 -1.7642 H 1 UNL1111111111 0.1575 40 H -3.9174 1.7614 0.0074 H 1 UNL1111111111 0.3110 41 H -5.8698 3.6098 0.4025 H 1 UNL1111111111 0.1738 42 H -5.6892 2.5938 1.8520 H 1 UNL1111111111 0.1718 43 H -7.2823 2.8065 1.1072 H 1 UNL1111111111 0.1882 @BOND 1 1 14 1 2 1 15 1 3 2 14 2 4 3 17 2 5 4 16 1 6 4 17 am 7 4 40 1 8 5 6 1 9 5 7 1 10 5 19 1 11 5 20 1 12 6 8 1 13 6 21 1 14 6 22 1 15 7 9 1 16 7 23 1 17 7 24 1 18 8 10 1 19 8 25 1 20 8 26 1 21 9 11 1 22 9 27 1 23 9 28 1 24 10 12 1 25 10 29 1 26 10 30 1 27 11 31 1 28 11 32 1 29 11 33 1 30 12 13 2 31 12 34 1 32 13 14 1 33 13 35 1 34 15 16 1 35 15 36 1 36 15 37 1 37 16 38 1 38 16 39 1 39 17 18 1 40 18 41 1 41 18 42 1 42 18 43 1