@MOLECULE 1-methyl-3-pentylsulfanyl-cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6015 -1.2492 0.0261 C.3 1 UNL11111111 -0.3046 2 C -3.9532 -0.4793 -0.0817 C.3 1 UNL11111111 -0.0780 3 H -4.6948 -1.0064 -0.7053 H 1 UNL11111111 0.1323 4 C -4.5588 -0.0676 1.2438 C.3 1 UNL11111111 -0.4528 5 C -3.2261 0.6643 -0.8530 C.3 1 UNL11111111 -0.2922 6 C -1.8999 -0.1352 -0.7919 C.3 1 UNL11111111 -0.1588 7 H -1.5472 -0.4728 -1.7787 H 1 UNL11111111 0.1465 8 S -0.5726 0.7745 0.0686 S.3 1 UNL11111111 -0.0728 9 C 0.9022 -0.2579 -0.3263 C.3 1 UNL11111111 -0.3085 10 C 2.1464 0.4209 0.2385 C.3 1 UNL11111111 -0.2639 11 C 3.3992 -0.3847 -0.1404 C.3 1 UNL11111111 -0.2712 12 C 4.6621 0.2892 0.4123 C.3 1 UNL11111111 -0.2500 13 C 5.9143 -0.4928 0.0156 C.3 1 UNL11111111 -0.4393 14 H -2.2438 -1.3807 1.0517 H 1 UNL11111111 0.1571 15 H -2.5997 -2.2307 -0.4532 H 1 UNL11111111 0.1389 16 H -3.8322 0.4581 1.8773 H 1 UNL11111111 0.1552 17 H -5.4129 0.6046 1.1000 H 1 UNL11111111 0.1462 18 H -4.9122 -0.9388 1.8082 H 1 UNL11111111 0.1460 19 H -3.5974 0.8387 -1.8661 H 1 UNL11111111 0.1422 20 H -3.2315 1.6280 -0.3340 H 1 UNL11111111 0.1570 21 H 0.7726 -1.2658 0.1055 H 1 UNL11111111 0.1518 22 H 0.9855 -0.3812 -1.4204 H 1 UNL11111111 0.1502 23 H 2.2437 1.4565 -0.1461 H 1 UNL11111111 0.1498 24 H 2.0829 0.5125 1.3414 H 1 UNL11111111 0.1484 25 H 3.3211 -1.4166 0.2489 H 1 UNL11111111 0.1373 26 H 3.4735 -0.4789 -1.2397 H 1 UNL11111111 0.1375 27 H 4.7321 1.3286 0.0391 H 1 UNL11111111 0.1353 28 H 4.5983 0.3667 1.5141 H 1 UNL11111111 0.1351 29 H 6.8191 -0.0221 0.4160 H 1 UNL11111111 0.1405 30 H 5.8823 -1.5204 0.3950 H 1 UNL11111111 0.1424 31 H 6.0259 -0.5466 -1.0732 H 1 UNL11111111 0.1424 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 4 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1