@MOLECULE 2-(isopropylsulfanyl)butane 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6812 1.4468 -0.3369 C.3 1 UNL11111111 -0.4390 2 C -2.4367 0.0333 0.1910 C.3 1 UNL11111111 -0.2586 3 C -1.0880 -0.5370 -0.2608 C.3 1 UNL11111111 -0.1060 4 H -0.9263 -0.3052 -1.3386 H 1 UNL11111111 0.1454 5 C -1.0374 -2.0443 -0.0446 C.3 1 UNL11111111 -0.4595 6 S 0.2460 0.3141 0.7109 S.3 1 UNL11111111 -0.1398 7 C 1.8106 -0.2221 -0.1374 C.3 1 UNL11111111 -0.0818 8 C 1.8655 0.2714 -1.5767 C.3 1 UNL11111111 -0.4585 9 C 2.9670 0.3387 0.6816 C.3 1 UNL11111111 -0.4482 10 H -1.9705 2.1708 0.0813 H 1 UNL11111111 0.1575 11 H -2.5879 1.4929 -1.4272 H 1 UNL11111111 0.1413 12 H -3.6863 1.7962 -0.0747 H 1 UNL11111111 0.1416 13 H -2.5287 0.0177 1.2957 H 1 UNL11111111 0.1498 14 H -3.2466 -0.6349 -0.1713 H 1 UNL11111111 0.1409 15 H -1.8377 -2.5485 -0.6033 H 1 UNL11111111 0.1493 16 H -0.0920 -2.4851 -0.3826 H 1 UNL11111111 0.1464 17 H -1.1644 -2.3168 1.0118 H 1 UNL11111111 0.1597 18 H 1.8399 -1.3362 -0.1177 H 1 UNL11111111 0.1416 19 H 1.1019 -0.1954 -2.2099 H 1 UNL11111111 0.1441 20 H 1.7333 1.3596 -1.6492 H 1 UNL11111111 0.1599 21 H 2.8392 0.0409 -2.0311 H 1 UNL11111111 0.1510 22 H 2.9442 -0.0005 1.7262 H 1 UNL11111111 0.1563 23 H 3.9302 0.0157 0.2640 H 1 UNL11111111 0.1489 24 H 2.9779 1.4372 0.6938 H 1 UNL11111111 0.1577 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 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 2 13 1 13 2 14 1 14 5 15 1 15 5 16 1 16 5 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 9 24 1