@MOLECULE (2R)-2-propylsulfanylpentane 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4086 -0.4456 -0.4286 C.3 1 UNL111 -0.4393 2 C 3.0720 -0.7766 0.2407 C.3 1 UNL111 -0.2415 3 C 1.9650 0.1035 -0.3351 C.3 1 UNL111 -0.3052 4 S 0.4010 -0.2360 0.5767 S.3 1 UNL111 -0.1056 5 C -0.8175 0.8552 -0.3042 C.3 1 UNL111 -0.1101 6 H -0.7105 0.6736 -1.3980 H 1 UNL111 0.1443 7 C -0.5458 2.3227 0.0018 C.3 1 UNL111 -0.4574 8 C -2.2234 0.4559 0.1541 C.3 1 UNL111 -0.2803 9 C -2.6937 -0.8589 -0.4835 C.3 1 UNL111 -0.2511 10 C -4.1332 -1.1712 -0.0737 C.3 1 UNL111 -0.4392 11 H 4.7001 0.5957 -0.2516 H 1 UNL111 0.1436 12 H 5.2121 -1.0816 -0.0397 H 1 UNL111 0.1444 13 H 4.3656 -0.5989 -1.5123 H 1 UNL111 0.1434 14 H 2.8382 -1.8508 0.0949 H 1 UNL111 0.1465 15 H 3.1649 -0.6339 1.3369 H 1 UNL111 0.1473 16 H 2.2251 1.1720 -0.2372 H 1 UNL111 0.1501 17 H 1.8222 -0.0993 -1.4104 H 1 UNL111 0.1492 18 H 0.4494 2.6442 -0.3276 H 1 UNL111 0.1468 19 H -1.2714 2.9711 -0.5079 H 1 UNL111 0.1495 20 H -0.6197 2.5431 1.0756 H 1 UNL111 0.1598 21 H -2.2841 0.3871 1.2585 H 1 UNL111 0.1522 22 H -2.9352 1.2636 -0.1168 H 1 UNL111 0.1443 23 H -2.6187 -0.7963 -1.5851 H 1 UNL111 0.1326 24 H -2.0332 -1.6960 -0.1842 H 1 UNL111 0.1500 25 H -4.4740 -2.1142 -0.5154 H 1 UNL111 0.1413 26 H -4.2258 -1.2666 1.0142 H 1 UNL111 0.1441 27 H -4.8249 -0.3866 -0.3982 H 1 UNL111 0.1401 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 7 18 1 18 7 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1