@MOLECULE (1R,6R)-2,2,4,4-tetramethyl-6-[(R)-methylsulfinyl]-7-oxabicyclo[4.1.0]heptane 34 35 0 0 0 SMALL USER_CHARGES @ATOM 1 S1 -2.3757 0.2570 0.5521 S.O 1 FIFG11111111 1.0838 2 O1 -2.7327 -1.1676 0.7527 O.2 1 FIFG11111111 -0.7900 3 O2 -0.3840 1.3780 -0.9661 O.3 1 FIFG11111111 -0.3777 4 C1 -0.6707 0.2232 -0.1741 C.3 1 FIFG11111111 -0.0662 5 C2 0.2989 1.2557 0.2882 C.3 1 FIFG11111111 0.0046 6 C3 1.8027 1.0437 0.2069 C.3 1 FIFG11111111 0.0893 7 C4 2.1757 -0.2831 -0.4863 C.3 1 FIFG11111111 -0.3200 8 C5 1.2070 -1.4621 -0.2567 C.3 1 FIFG11111111 0.1217 9 C6 -0.2107 -1.0826 -0.7413 C.3 1 FIFG11111111 -0.3293 10 C7 2.3840 2.2109 -0.6147 C.3 1 FIFG11111111 -0.4646 11 C8 -3.2545 0.8115 -0.9394 C.3 1 FIFG11111111 -0.6607 12 C9 1.7017 -2.6542 -1.1003 C.3 1 FIFG11111111 -0.4720 13 C10 1.1566 -1.8982 1.2121 C.3 1 FIFG11111111 -0.4642 14 C11 2.3866 1.1073 1.6275 C.3 1 FIFG11111111 -0.4679 15 H1 -0.0023 2.0111 1.0236 H 1 FIFG11111111 0.1482 16 H2 3.1944 -0.5813 -0.1773 H 1 FIFG11111111 0.1432 17 H3 2.2367 -0.1047 -1.5803 H 1 FIFG11111111 0.1501 18 H4 -0.9085 -1.9158 -0.4884 H 1 FIFG11111111 0.1867 19 H5 -0.2212 -1.0197 -1.8510 H 1 FIFG11111111 0.1613 20 H6 2.2087 3.1746 -0.1265 H 1 FIFG11111111 0.1447 21 H7 3.4633 2.1002 -0.7557 H 1 FIFG11111111 0.1464 22 H8 1.9186 2.2617 -1.6081 H 1 FIFG11111111 0.1601 23 H9 -3.2923 0.0382 -1.7140 H 1 FIFG11111111 0.1793 24 H10 -2.7729 1.6945 -1.3753 H 1 FIFG11111111 0.1840 25 H11 -4.2879 1.0703 -0.6914 H 1 FIFG11111111 0.1729 26 H12 1.0270 -3.5125 -1.0043 H 1 FIFG11111111 0.1525 27 H13 2.6957 -2.9817 -0.7794 H 1 FIFG11111111 0.1470 28 H14 1.7636 -2.4013 -2.1633 H 1 FIFG11111111 0.1452 29 H15 0.5607 -2.8117 1.3334 H 1 FIFG11111111 0.1548 30 H16 0.6869 -1.1353 1.8425 H 1 FIFG11111111 0.1487 31 H17 2.1567 -2.0988 1.6070 H 1 FIFG11111111 0.1415 32 H18 2.1815 2.0700 2.1070 H 1 FIFG11111111 0.1428 33 H19 1.9772 0.3213 2.2714 H 1 FIFG11111111 0.1550 34 H20 3.4745 0.9795 1.6111 H 1 FIFG11111111 0.1486 @BOND 1 1 2 2 2 1 4 1 3 1 11 1 4 3 4 1 5 3 5 1 6 4 5 1 7 4 9 1 8 5 6 1 9 5 15 1 10 6 7 1 11 6 10 1 12 6 14 1 13 7 8 1 14 7 16 1 15 7 17 1 16 8 9 1 17 8 12 1 18 8 13 1 19 9 18 1 20 9 19 1 21 10 20 1 22 10 21 1 23 10 22 1 24 11 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 12 27 1 29 12 28 1 30 13 29 1 31 13 30 1 32 13 31 1 33 14 32 1 34 14 33 1 35 14 34 1