@MOLECULE 9-methyldecane-5-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.9480 -0.3183 -0.2392 C.3 1 UNL111 -0.4380 2 C 4.6000 -1.0381 -0.1941 C.3 1 UNL111 -0.2546 3 C 3.4501 -0.0281 -0.0652 C.3 1 UNL111 -0.2570 4 C 2.1023 -0.7594 -0.0130 C.3 1 UNL111 -0.3258 5 C 0.8886 0.1102 0.1336 C.2 1 UNL111 0.1169 6 S 0.9408 1.7024 0.3069 S.2 1 UNL111 -0.2132 7 C -0.3795 -0.6912 0.1094 C.3 1 UNL111 -0.3223 8 C -1.6833 0.1151 0.1747 C.3 1 UNL111 -0.2565 9 C -2.8930 -0.8224 0.0589 C.3 1 UNL111 -0.2934 10 C -4.2198 -0.0449 0.1629 C.3 1 UNL111 -0.0565 11 C -4.4780 0.7815 -1.1025 C.3 1 UNL111 -0.4543 12 C -5.3759 -1.0299 0.3836 C.3 1 UNL111 -0.4592 13 H 6.0097 0.3644 -1.0943 H 1 UNL111 0.1449 14 H 6.1172 0.2742 0.6674 H 1 UNL111 0.1452 15 H 6.7758 -1.0303 -0.3263 H 1 UNL111 0.1395 16 H 4.4702 -1.6514 -1.1053 H 1 UNL111 0.1321 17 H 4.5816 -1.7461 0.6558 H 1 UNL111 0.1321 18 H 3.5975 0.5873 0.8437 H 1 UNL111 0.1535 19 H 3.4768 0.6794 -0.9166 H 1 UNL111 0.1513 20 H 1.9996 -1.3808 -0.9323 H 1 UNL111 0.1612 21 H 2.1250 -1.4918 0.8269 H 1 UNL111 0.1623 22 H -0.3969 -1.3220 -0.8090 H 1 UNL111 0.1611 23 H -0.3650 -1.4163 0.9558 H 1 UNL111 0.1623 24 H -1.7404 0.6874 1.1211 H 1 UNL111 0.1514 25 H -1.7150 0.8684 -0.6368 H 1 UNL111 0.1534 26 H -2.8597 -1.3768 -0.8963 H 1 UNL111 0.1373 27 H -2.8505 -1.5884 0.8557 H 1 UNL111 0.1350 28 H -4.1651 0.6448 1.0399 H 1 UNL111 0.1318 29 H -5.4125 1.3469 -1.0219 H 1 UNL111 0.1417 30 H -3.6733 1.5033 -1.2817 H 1 UNL111 0.1468 31 H -4.5528 0.1449 -1.9902 H 1 UNL111 0.1430 32 H -5.2448 -1.6012 1.3083 H 1 UNL111 0.1407 33 H -6.3345 -0.5050 0.4555 H 1 UNL111 0.1439 34 H -5.4553 -1.7458 -0.4413 H 1 UNL111 0.1436 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1