@MOLECULE 6-methylheptane-2-thione 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3305 -1.3533 -0.2345 C.3 1 UNL11111111 -0.4918 2 C 2.2396 -0.3490 -0.0646 C.2 1 UNL11111111 0.1431 3 S 2.5580 1.1935 0.2388 S.2 1 UNL11111111 -0.2199 4 C 0.8726 -0.9376 -0.2129 C.3 1 UNL11111111 -0.3220 5 C -0.2950 0.0024 0.1129 C.3 1 UNL11111111 -0.2585 6 C -1.6313 -0.7324 -0.0606 C.3 1 UNL11111111 -0.2929 7 C -2.8245 0.1718 0.3064 C.3 1 UNL11111111 -0.0557 8 C -3.0308 1.2689 -0.7441 C.3 1 UNL11111111 -0.4544 9 C -4.0969 -0.6779 0.4257 C.3 1 UNL11111111 -0.4592 10 H 3.3332 -2.0834 0.5915 H 1 UNL11111111 0.1709 11 H 3.2195 -1.9265 -1.1679 H 1 UNL11111111 0.1667 12 H 4.3409 -0.9133 -0.2589 H 1 UNL11111111 0.1778 13 H 0.7540 -1.3111 -1.2572 H 1 UNL11111111 0.1648 14 H 0.7912 -1.8482 0.4241 H 1 UNL11111111 0.1617 15 H -0.2081 0.3867 1.1476 H 1 UNL11111111 0.1501 16 H -0.2699 0.8941 -0.5441 H 1 UNL11111111 0.1548 17 H -1.7397 -1.0906 -1.1003 H 1 UNL11111111 0.1376 18 H -1.6462 -1.6372 0.5755 H 1 UNL11111111 0.1348 19 H -2.6215 0.6526 1.2938 H 1 UNL11111111 0.1315 20 H -3.2011 0.8455 -1.7393 H 1 UNL11111111 0.1432 21 H -3.8965 1.8935 -0.4992 H 1 UNL11111111 0.1418 22 H -2.1590 1.9293 -0.8106 H 1 UNL11111111 0.1469 23 H -3.9907 -1.4541 1.1903 H 1 UNL11111111 0.1407 24 H -4.9597 -0.0619 0.7010 H 1 UNL11111111 0.1439 25 H -4.3372 -1.1740 -0.5203 H 1 UNL11111111 0.1439 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 4 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 6 17 1 17 6 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1