@MOLECULE 2,2,8-trimethylnonane-5-thione 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.0086 0.7041 -0.3336 C.3 1 UNL1111111 -0.0630 2 C -5.3164 -0.0819 -0.4990 C.3 1 UNL1111111 -0.4556 3 C -4.1434 1.6876 0.8351 C.3 1 UNL1111111 -0.4543 4 C -2.8463 -0.2835 -0.1043 C.3 1 UNL1111111 -0.2738 5 C -1.4870 0.4194 -0.2010 C.3 1 UNL1111111 -0.3221 6 C -0.2803 -0.4528 -0.0148 C.2 1 UNL1111111 0.1174 7 S -0.3448 -2.0312 0.2566 S.2 1 UNL1111111 -0.2188 8 C 0.9924 0.3352 -0.1126 C.3 1 UNL1111111 -0.3203 9 C 2.2886 -0.4646 0.0580 C.3 1 UNL1111111 -0.2851 10 C 3.5626 0.4093 -0.0382 C.3 1 UNL1111111 0.1262 11 C 3.5809 1.4730 1.0699 C.3 1 UNL1111111 -0.4666 12 C 4.7817 -0.5160 0.1410 C.3 1 UNL1111111 -0.4684 13 C 3.6566 1.0914 -1.4116 C.3 1 UNL1111111 -0.4667 14 H -3.8173 1.2791 -1.2708 H 1 UNL1111111 0.1264 15 H -6.1637 0.5885 -0.6772 H 1 UNL1111111 0.1418 16 H -5.2630 -0.7757 -1.3449 H 1 UNL1111111 0.1439 17 H -5.5451 -0.6698 0.3967 H 1 UNL1111111 0.1475 18 H -4.2667 1.1613 1.7881 H 1 UNL1111111 0.1475 19 H -3.2658 2.3349 0.9249 H 1 UNL1111111 0.1374 20 H -5.0152 2.3383 0.7056 H 1 UNL1111111 0.1423 21 H -2.9642 -0.7712 0.8823 H 1 UNL1111111 0.1539 22 H -2.9086 -1.0990 -0.8519 H 1 UNL1111111 0.1525 23 H -1.4180 0.9311 -1.1883 H 1 UNL1111111 0.1611 24 H -1.4567 1.2417 0.5512 H 1 UNL1111111 0.1634 25 H 1.0196 0.8580 -1.0967 H 1 UNL1111111 0.1638 26 H 0.9711 1.1503 0.6474 H 1 UNL1111111 0.1639 27 H 2.2881 -0.9858 1.0360 H 1 UNL1111111 0.1539 28 H 2.3451 -1.2633 -0.7079 H 1 UNL1111111 0.1530 29 H 3.4541 1.0195 2.0586 H 1 UNL1111111 0.1468 30 H 4.5304 2.0188 1.0777 H 1 UNL1111111 0.1447 31 H 2.7860 2.2128 0.9377 H 1 UNL1111111 0.1398 32 H 4.8124 -1.2895 -0.6333 H 1 UNL1111111 0.1463 33 H 5.7195 0.0452 0.0817 H 1 UNL1111111 0.1437 34 H 4.7622 -1.0205 1.1125 H 1 UNL1111111 0.1464 35 H 2.8723 1.8414 -1.5483 H 1 UNL1111111 0.1399 36 H 4.6171 1.6036 -1.5330 H 1 UNL1111111 0.1447 37 H 3.5680 0.3630 -2.2245 H 1 UNL1111111 0.1466 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 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 34 13 35 1 35 13 36 1 36 13 37 1