@MOLECULE dicyclohexyl sulfoxide 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5689 0.6853 -0.9434 C.3 1 UNL1111111 -0.2724 2 C -2.7454 1.6708 -0.8609 C.3 1 UNL1111111 -0.2595 3 C -4.0368 0.9382 -0.4773 C.3 1 UNL1111111 -0.2651 4 C -3.8544 0.1818 0.8446 C.3 1 UNL1111111 -0.2642 5 C -2.6723 -0.7961 0.7489 C.3 1 UNL1111111 -0.2586 6 C -1.3905 -0.0354 0.3931 C.3 1 UNL1111111 -0.2979 7 S 0.0108 -1.2552 0.3800 S.O 1 UNL1111111 0.9709 8 O -0.2214 -2.1372 -0.7956 O.2 1 UNL1111111 -0.7890 9 C 1.4209 -0.1590 -0.1417 C.3 1 UNL1111111 -0.3013 10 C 1.6285 0.9971 0.8356 C.3 1 UNL1111111 -0.2686 11 C 2.8075 1.8649 0.3615 C.3 1 UNL1111111 -0.2566 12 C 4.0863 1.0250 0.2532 C.3 1 UNL1111111 -0.2673 13 C 3.8701 -0.1592 -0.6978 C.3 1 UNL1111111 -0.2616 14 C 2.6844 -1.0201 -0.2327 C.3 1 UNL1111111 -0.2576 15 H -1.7563 -0.0521 -1.7538 H 1 UNL1111111 0.1641 16 H -0.6560 1.2355 -1.2377 H 1 UNL1111111 0.1293 17 H -2.5250 2.4629 -0.1224 H 1 UNL1111111 0.1310 18 H -2.8745 2.1841 -1.8315 H 1 UNL1111111 0.1329 19 H -4.8723 1.6562 -0.3949 H 1 UNL1111111 0.1283 20 H -4.3198 0.2306 -1.2799 H 1 UNL1111111 0.1419 21 H -3.6901 0.8960 1.6717 H 1 UNL1111111 0.1309 22 H -4.7788 -0.3695 1.0954 H 1 UNL1111111 0.1297 23 H -2.5690 -1.3431 1.7047 H 1 UNL1111111 0.1332 24 H -2.8917 -1.5648 -0.0228 H 1 UNL1111111 0.1597 25 H -1.1682 0.7039 1.1937 H 1 UNL1111111 0.1463 26 H 1.1953 0.2428 -1.1567 H 1 UNL1111111 0.1589 27 H 0.7257 1.6322 0.9143 H 1 UNL1111111 0.1304 28 H 1.8401 0.6228 1.8562 H 1 UNL1111111 0.1418 29 H 2.5712 2.3210 -0.6182 H 1 UNL1111111 0.1379 30 H 2.9620 2.7057 1.0609 H 1 UNL1111111 0.1275 31 H 4.9237 1.6517 -0.1027 H 1 UNL1111111 0.1284 32 H 4.3842 0.6581 1.2526 H 1 UNL1111111 0.1337 33 H 3.6893 0.2085 -1.7252 H 1 UNL1111111 0.1388 34 H 4.7851 -0.7761 -0.7524 H 1 UNL1111111 0.1304 35 H 2.9267 -1.4831 0.7428 H 1 UNL1111111 0.1386 36 H 2.5360 -1.8592 -0.9451 H 1 UNL1111111 0.1552 @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 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 9 14 1 16 1 15 1 17 1 16 1 18 2 17 1 19 2 18 1 20 3 19 1 21 3 20 1 22 4 21 1 23 4 22 1 24 5 23 1 25 5 24 1 26 6 25 1 27 9 26 1 28 10 27 1 29 10 28 1 30 11 29 1 31 11 30 1 32 12 31 1 33 12 32 1 34 13 33 1 35 13 34 1 36 14 35 1 37 14 36 1