@MOLECULE 2,2,6,6-tetramethylheptane-4-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2338 0.8922 -0.6616 C.3 1 UNL111 -0.4701 2 C -2.6206 -0.3327 0.0268 C.3 1 UNL111 0.1597 3 C -2.5147 -0.1042 1.5383 C.3 1 UNL111 -0.4694 4 C -3.5644 -1.5355 -0.2173 C.3 1 UNL111 -0.4771 5 C -1.2530 -0.7241 -0.6000 C.3 1 UNL111 -0.3593 6 C -0.0075 0.0503 -0.2666 C.2 1 UNL111 0.1458 7 S 0.0159 1.6299 0.0025 S.2 1 UNL111 -0.2341 8 C 1.1929 -0.8504 -0.3211 C.3 1 UNL111 -0.3543 9 C 2.6156 -0.3361 0.0244 C.3 1 UNL111 0.1570 10 C 2.7044 0.1003 1.4911 C.3 1 UNL111 -0.4693 11 C 3.5729 -1.5365 -0.1823 C.3 1 UNL111 -0.4772 12 C 3.0719 0.7901 -0.9104 C.3 1 UNL111 -0.4689 13 H -2.6850 1.8134 -0.4357 H 1 UNL111 0.1679 14 H -3.2472 0.7808 -1.7497 H 1 UNL111 0.1413 15 H -4.2656 1.0547 -0.3319 H 1 UNL111 0.1430 16 H -3.5103 -0.0472 1.9955 H 1 UNL111 0.1461 17 H -1.9687 -0.9120 2.0334 H 1 UNL111 0.1421 18 H -2.0099 0.8364 1.7818 H 1 UNL111 0.1607 19 H -3.6451 -1.7721 -1.2823 H 1 UNL111 0.1423 20 H -3.2190 -2.4329 0.3040 H 1 UNL111 0.1422 21 H -4.5745 -1.3201 0.1453 H 1 UNL111 0.1481 22 H -1.0901 -1.7991 -0.3544 H 1 UNL111 0.1553 23 H -1.3721 -0.7034 -1.7097 H 1 UNL111 0.1689 24 H 0.9989 -1.7260 0.3448 H 1 UNL111 0.1632 25 H 1.2394 -1.2793 -1.3517 H 1 UNL111 0.1642 26 H 2.3414 -0.6787 2.1678 H 1 UNL111 0.1407 27 H 3.7387 0.3311 1.7712 H 1 UNL111 0.1451 28 H 2.1197 1.0049 1.6896 H 1 UNL111 0.1632 29 H 3.5879 -1.8614 -1.2267 H 1 UNL111 0.1422 30 H 4.5994 -1.2671 0.0885 H 1 UNL111 0.1481 31 H 3.2910 -2.3935 0.4350 H 1 UNL111 0.1413 32 H 2.6646 1.7642 -0.6164 H 1 UNL111 0.1667 33 H 4.1618 0.8981 -0.8969 H 1 UNL111 0.1426 34 H 2.7712 0.6075 -1.9457 H 1 UNL111 0.1422 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 8 24 1 24 8 25 1 25 10 26 1 26 10 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