@MOLECULE 2-methyl-2-[(R)-[(1R)-1-methylbutyl]sulfinyl]pentane 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5783 0.7733 -0.8564 C.3 1 UNL111 -0.4415 2 C 3.3700 -0.0844 -0.4722 C.3 1 UNL111 -0.2474 3 C 2.4030 0.7306 0.3973 C.3 1 UNL111 -0.2876 4 C 1.1284 -0.0116 0.8330 C.3 1 UNL111 -0.0875 5 C 1.4424 -1.3839 1.4177 C.3 1 UNL111 -0.4610 6 C 0.4068 0.8517 1.8670 C.3 1 UNL111 -0.4680 7 S 0.0563 -0.2146 -0.7028 S.O 1 UNL111 0.9644 8 O -0.3529 1.1769 -1.0421 O.2 1 UNL111 -0.7916 9 C -1.4368 -1.0791 0.0097 C.3 1 UNL111 -0.2888 10 H -1.3849 -1.0614 1.1205 H 1 UNL111 0.1469 11 C -1.3915 -2.5255 -0.4730 C.3 1 UNL111 -0.4415 12 C -2.7372 -0.4053 -0.4335 C.3 1 UNL111 -0.2641 13 C -3.0354 0.8728 0.3646 C.3 1 UNL111 -0.2627 14 C -4.4227 1.4137 0.0183 C.3 1 UNL111 -0.4371 15 H 5.1132 1.1346 0.0280 H 1 UNL111 0.1391 16 H 5.2915 0.2068 -1.4640 H 1 UNL111 0.1367 17 H 4.2740 1.6509 -1.4394 H 1 UNL111 0.1490 18 H 2.8695 -0.4480 -1.3887 H 1 UNL111 0.1417 19 H 3.7104 -0.9853 0.0699 H 1 UNL111 0.1287 20 H 2.9443 1.0711 1.3041 H 1 UNL111 0.1407 21 H 2.1276 1.6686 -0.1350 H 1 UNL111 0.1650 22 H 2.2057 -1.2973 2.2048 H 1 UNL111 0.1550 23 H 0.5700 -1.8546 1.8863 H 1 UNL111 0.1455 24 H 1.8418 -2.0847 0.6747 H 1 UNL111 0.1479 25 H 0.1033 1.8233 1.4429 H 1 UNL111 0.1732 26 H -0.4960 0.3796 2.2692 H 1 UNL111 0.1430 27 H 1.0548 1.0682 2.7257 H 1 UNL111 0.1502 28 H -0.4678 -3.0418 -0.1852 H 1 UNL111 0.1427 29 H -2.2204 -3.1027 -0.0396 H 1 UNL111 0.1474 30 H -1.4915 -2.6047 -1.5639 H 1 UNL111 0.1532 31 H -2.7170 -0.1646 -1.5157 H 1 UNL111 0.1529 32 H -3.5787 -1.1164 -0.3080 H 1 UNL111 0.1351 33 H -2.9639 0.6795 1.4491 H 1 UNL111 0.1231 34 H -2.2703 1.6470 0.1342 H 1 UNL111 0.1730 35 H -4.6224 2.3512 0.5500 H 1 UNL111 0.1428 36 H -4.5086 1.6235 -1.0544 H 1 UNL111 0.1454 37 H -5.2125 0.7046 0.2846 H 1 UNL111 0.1360 @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