@MOLECULE 2-(isopropylsulfanyl)butane 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7206 1.4367 -0.4018 C.3 1 UNL11111111 -0.4390 2 C 2.4590 0.0353 0.1496 C.3 1 UNL11111111 -0.2587 3 C 1.1119 -0.5301 -0.3141 C.3 1 UNL11111111 -0.1035 4 H 0.9454 -0.2699 -1.3841 H 1 UNL11111111 0.1428 5 C 1.0712 -2.0432 -0.1406 C.3 1 UNL11111111 -0.4576 6 S -0.2310 0.2696 0.6916 S.3 1 UNL11111111 -0.1397 7 C -1.7116 0.1693 -0.4297 C.3 1 UNL11111111 -0.0806 8 C -2.5284 -1.0812 -0.1317 C.3 1 UNL11111111 -0.4530 9 C -2.5405 1.4292 -0.2117 C.3 1 UNL11111111 -0.4491 10 H 2.6879 1.4538 -1.4965 H 1 UNL11111111 0.1401 11 H 1.9817 2.1628 -0.0400 H 1 UNL11111111 0.1573 12 H 3.7071 1.8019 -0.0946 H 1 UNL11111111 0.1416 13 H 3.2712 -0.6440 -0.1846 H 1 UNL11111111 0.1410 14 H 2.5328 0.0411 1.2558 H 1 UNL11111111 0.1498 15 H 0.1200 -2.4763 -0.4734 H 1 UNL11111111 0.1483 16 H 1.8624 -2.5285 -0.7273 H 1 UNL11111111 0.1479 17 H 1.2156 -2.3446 0.9058 H 1 UNL11111111 0.1593 18 H -1.3450 0.1382 -1.4811 H 1 UNL11111111 0.1385 19 H -1.9559 -2.0036 -0.2872 H 1 UNL11111111 0.1475 20 H -2.8945 -1.1009 0.9036 H 1 UNL11111111 0.1588 21 H -3.4109 -1.1361 -0.7828 H 1 UNL11111111 0.1474 22 H -1.9757 2.3444 -0.4340 H 1 UNL11111111 0.1553 23 H -3.4243 1.4314 -0.8635 H 1 UNL11111111 0.1484 24 H -2.9066 1.5154 0.8204 H 1 UNL11111111 0.1569 @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