@MOLECULE (6R)-4,4,6-trimethylnonane-5-thione 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.8794 -0.1872 0.7139 C.3 1 UNL11111111 -0.4407 2 C 3.6338 -0.7997 0.0704 C.3 1 UNL11111111 -0.2472 3 C 2.4241 0.1271 0.2670 C.3 1 UNL11111111 -0.2861 4 C 1.0915 -0.4563 -0.2624 C.3 1 UNL11111111 0.0593 5 C 1.2472 -0.7872 -1.7573 C.3 1 UNL11111111 -0.4584 6 C 0.7385 -1.7229 0.5395 C.3 1 UNL11111111 -0.4583 7 C -0.0703 0.5174 -0.1059 C.2 1 UNL11111111 0.0774 8 S 0.0634 1.9503 0.6037 S.2 1 UNL11111111 -0.2174 9 C -1.3978 0.0475 -0.6592 C.3 1 UNL11111111 -0.1309 10 H -1.2894 -0.9866 -1.0830 H 1 UNL11111111 0.1480 11 C -1.8518 0.9667 -1.8014 C.3 1 UNL11111111 -0.4400 12 C -2.4613 -0.0212 0.4570 C.3 1 UNL11111111 -0.2741 13 C -3.6281 -0.9332 0.0534 C.3 1 UNL11111111 -0.2500 14 C -4.7151 -0.9249 1.1281 C.3 1 UNL11111111 -0.4383 15 H 4.7467 -0.0500 1.7930 H 1 UNL11111111 0.1444 16 H 5.7563 -0.8268 0.5682 H 1 UNL11111111 0.1383 17 H 5.1108 0.7937 0.2831 H 1 UNL11111111 0.1450 18 H 3.8188 -0.9691 -1.0066 H 1 UNL11111111 0.1323 19 H 3.4372 -1.7947 0.5100 H 1 UNL11111111 0.1323 20 H 2.3276 0.3589 1.3465 H 1 UNL11111111 0.1540 21 H 2.6376 1.0920 -0.2349 H 1 UNL11111111 0.1526 22 H 2.0324 -1.5353 -1.9163 H 1 UNL11111111 0.1541 23 H 0.3318 -1.1977 -2.1954 H 1 UNL11111111 0.1477 24 H 1.5215 0.1054 -2.3313 H 1 UNL11111111 0.1523 25 H 0.6408 -1.4995 1.6083 H 1 UNL11111111 0.1534 26 H -0.1993 -2.1802 0.2080 H 1 UNL11111111 0.1477 27 H 1.5183 -2.4860 0.4352 H 1 UNL11111111 0.1548 28 H -1.0707 1.0804 -2.5610 H 1 UNL11111111 0.1458 29 H -2.7415 0.5619 -2.2973 H 1 UNL11111111 0.1458 30 H -2.1145 1.9707 -1.4436 H 1 UNL11111111 0.1627 31 H -2.0087 -0.3953 1.3946 H 1 UNL11111111 0.1416 32 H -2.8398 0.9932 0.6887 H 1 UNL11111111 0.1573 33 H -4.0540 -0.6026 -0.9129 H 1 UNL11111111 0.1357 34 H -3.2668 -1.9656 -0.1109 H 1 UNL11111111 0.1306 35 H -5.5450 -1.5878 0.8598 H 1 UNL11111111 0.1396 36 H -4.3261 -1.2584 2.0967 H 1 UNL11111111 0.1439 37 H -5.1300 0.0799 1.2694 H 1 UNL11111111 0.1447 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 3 20 1 20 3 21 1 21 5 22 1 22 5 23 1 23 5 24 1 24 6 25 1 25 6 26 1 26 6 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 14 37 1