@MOLECULE [(R)-[(1R)-1-methylbutyl]sulfinyl]cyclohexane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2893 0.9692 0.8494 C.3 1 UNL11111111 -0.2611 2 C -3.7321 0.4656 0.6819 C.3 1 UNL11111111 -0.2640 3 C -3.9984 0.0761 -0.7777 C.3 1 UNL11111111 -0.2640 4 C -2.9918 -0.9838 -1.2420 C.3 1 UNL11111111 -0.2621 5 C -1.5517 -0.4800 -1.0570 C.3 1 UNL11111111 -0.2719 6 C -1.3034 -0.1176 0.4074 C.3 1 UNL11111111 -0.2987 7 S 0.4174 0.5150 0.7126 S.O 1 UNL11111111 0.9863 8 O 0.6288 1.5869 -0.2986 O.2 1 UNL11111111 -0.7970 9 C 1.4321 -0.9317 0.1176 C.3 1 UNL11111111 -0.2910 10 H 1.2269 -1.0878 -0.9661 H 1 UNL11111111 0.1575 11 C 1.0663 -2.1872 0.8979 C.3 1 UNL11111111 -0.4499 12 C 2.9188 -0.6041 0.2961 C.3 1 UNL11111111 -0.2644 13 C 3.4450 0.3354 -0.7988 C.3 1 UNL11111111 -0.2633 14 C 4.9376 0.6023 -0.6065 C.3 1 UNL11111111 -0.4409 15 H -2.1478 1.8897 0.2433 H 1 UNL11111111 0.1602 16 H -2.1228 1.2654 1.9019 H 1 UNL11111111 0.1329 17 H -3.9115 -0.4006 1.3442 H 1 UNL11111111 0.1307 18 H -4.4435 1.2482 1.0020 H 1 UNL11111111 0.1302 19 H -5.0303 -0.3016 -0.8904 H 1 UNL11111111 0.1287 20 H -3.9268 0.9711 -1.4250 H 1 UNL11111111 0.1422 21 H -3.1409 -1.9214 -0.6762 H 1 UNL11111111 0.1304 22 H -3.1686 -1.2355 -2.3039 H 1 UNL11111111 0.1335 23 H -0.8479 -1.2551 -1.4118 H 1 UNL11111111 0.1287 24 H -1.3806 0.4070 -1.7053 H 1 UNL11111111 0.1651 25 H -1.4384 -1.0167 1.0473 H 1 UNL11111111 0.1463 26 H 1.7171 -3.0254 0.6066 H 1 UNL11111111 0.1538 27 H 1.1888 -2.0634 1.9811 H 1 UNL11111111 0.1497 28 H 0.0401 -2.5248 0.7074 H 1 UNL11111111 0.1448 29 H 3.1228 -0.1724 1.2947 H 1 UNL11111111 0.1406 30 H 3.5057 -1.5456 0.2692 H 1 UNL11111111 0.1365 31 H 3.2614 -0.0999 -1.7983 H 1 UNL11111111 0.1340 32 H 2.8866 1.2973 -0.7928 H 1 UNL11111111 0.1759 33 H 5.3174 1.2795 -1.3805 H 1 UNL11111111 0.1442 34 H 5.1375 1.0711 0.3633 H 1 UNL11111111 0.1403 35 H 5.5240 -0.3206 -0.6586 H 1 UNL11111111 0.1359 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 13 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 11 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1