@MOLECULE (1r,4s,6s)-1-(benzyloxy)-4,8,11,11-tetramethyl-6-(phenylsulfanyl)bicyclo[5.3.1]undec-7-en-3-one 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7091 1.4477 0.6315 S.3 1 UNL1111111111 -0.0222 2 O 2.4722 0.4971 -1.3074 O.3 1 UNL1111111111 -0.4243 3 O 0.3541 -3.1426 -0.1005 O.2 1 UNL1111111111 -0.4770 4 C 0.5440 0.7579 -0.0137 C.3 1 UNL1111111111 0.0931 5 C 1.5962 -0.2962 -0.5182 C.3 1 UNL1111111111 0.2860 6 C -0.4540 -0.0799 0.7587 C.2 1 UNL1111111111 -0.1377 7 C 2.3252 -0.9757 0.6481 C.3 1 UNL1111111111 -0.3385 8 C 0.9565 -1.3284 -1.4889 C.3 1 UNL1111111111 -0.4520 9 C 1.5034 -1.0672 1.9466 C.3 1 UNL1111111111 -0.2742 10 C -1.8906 -0.1971 0.3766 C.3 1 UNL1111111111 -0.1213 11 C 0.0316 -0.8631 1.7485 C.2 1 UNL1111111111 0.0615 12 C 1.1965 1.7986 0.9263 C.3 1 UNL1111111111 -0.4499 13 C 0.0433 1.5777 -1.2098 C.3 1 UNL1111111111 -0.4538 14 C -2.0892 -0.7536 -1.0384 C.3 1 UNL1111111111 -0.2892 15 C -1.4981 -2.1617 -1.2252 C.3 1 UNL1111111111 -0.1880 16 C -0.0289 -2.2604 -0.8292 C.2 1 UNL1111111111 0.4905 17 C -0.8015 -1.6555 2.7000 C.3 1 UNL1111111111 -0.4647 18 C 3.7013 -0.0670 -1.7174 C.3 1 UNL1111111111 -0.0476 19 C -2.3133 -3.2067 -0.4619 C.3 1 UNL1111111111 -0.4317 20 C 4.7997 0.4173 -0.8143 C.ar 1 UNL1111111111 -0.0374 21 C -4.4065 1.1323 0.2165 C.ar 1 UNL1111111111 -0.0661 22 C 5.8506 -0.4291 -0.4621 C.ar 1 UNL1111111111 -0.1737 23 C 4.7620 1.7258 -0.3306 C.ar 1 UNL1111111111 -0.1419 24 C -5.0559 -0.0549 0.5513 C.ar 1 UNL1111111111 -0.1677 25 C -5.0979 2.1540 -0.4357 C.ar 1 UNL1111111111 -0.1487 26 C 6.8607 0.0342 0.3790 C.ar 1 UNL1111111111 -0.1425 27 C 5.7685 2.1834 0.5157 C.ar 1 UNL1111111111 -0.1474 28 C -6.3995 -0.2246 0.2208 C.ar 1 UNL1111111111 -0.1403 29 C -6.4433 1.9815 -0.7542 C.ar 1 UNL1111111111 -0.1415 30 C 6.8186 1.3376 0.8712 C.ar 1 UNL1111111111 -0.1565 31 C -7.0943 0.7923 -0.4316 C.ar 1 UNL1111111111 -0.1551 32 H 3.2625 -0.4222 0.8616 H 1 UNL1111111111 0.1645 33 H 2.6332 -1.9985 0.3504 H 1 UNL1111111111 0.1600 34 H 1.7650 -1.9441 -1.9361 H 1 UNL1111111111 0.1705 35 H 0.5014 -0.7819 -2.3356 H 1 UNL1111111111 0.1715 36 H 1.8845 -0.3378 2.6928 H 1 UNL1111111111 0.1522 37 H 1.6848 -2.0675 2.3991 H 1 UNL1111111111 0.1580 38 H -2.4183 -0.9005 1.0764 H 1 UNL1111111111 0.1600 39 H 1.5702 1.3706 1.8586 H 1 UNL1111111111 0.1466 40 H 0.4716 2.5729 1.2028 H 1 UNL1111111111 0.1523 41 H 2.0447 2.2851 0.4313 H 1 UNL1111111111 0.1510 42 H 0.8889 2.0677 -1.7150 H 1 UNL1111111111 0.1602 43 H -0.6403 2.3767 -0.9029 H 1 UNL1111111111 0.1607 44 H -0.4643 0.9758 -1.9689 H 1 UNL1111111111 0.1393 45 H -3.1734 -0.7978 -1.2778 H 1 UNL1111111111 0.1546 46 H -1.6604 -0.0701 -1.8010 H 1 UNL1111111111 0.1603 47 H -1.5483 -2.4094 -2.3195 H 1 UNL1111111111 0.1549 48 H -1.7873 -1.2107 2.8889 H 1 UNL1111111111 0.1566 49 H -0.9513 -2.6789 2.3146 H 1 UNL1111111111 0.1721 50 H -0.3174 -1.7529 3.6822 H 1 UNL1111111111 0.1574 51 H 3.6567 -1.1677 -1.7823 H 1 UNL1111111111 0.1301 52 H 3.8269 0.3433 -2.7430 H 1 UNL1111111111 0.1479 53 H -1.9143 -4.2166 -0.6297 H 1 UNL1111111111 0.1576 54 H -2.2714 -3.0383 0.6209 H 1 UNL1111111111 0.1514 55 H -3.3638 -3.2029 -0.7682 H 1 UNL1111111111 0.1422 56 H 5.8850 -1.4490 -0.8380 H 1 UNL1111111111 0.1503 57 H 3.9368 2.3801 -0.6139 H 1 UNL1111111111 0.1653 58 H -4.5368 -0.8563 1.0760 H 1 UNL1111111111 0.1563 59 H -4.6017 3.0877 -0.7046 H 1 UNL1111111111 0.1636 60 H 7.6813 -0.6244 0.6547 H 1 UNL1111111111 0.1466 61 H 5.7360 3.2012 0.8984 H 1 UNL1111111111 0.1486 62 H -6.9074 -1.1523 0.4778 H 1 UNL1111111111 0.1504 63 H -6.9863 2.7779 -1.2597 H 1 UNL1111111111 0.1498 64 H 7.6053 1.6951 1.5313 H 1 UNL1111111111 0.1468 65 H -8.1435 0.6578 -0.6867 H 1 UNL1111111111 0.1503 @BOND 1 1 10 1 2 1 21 1 3 2 5 1 4 2 18 1 5 3 16 2 6 4 5 1 7 4 6 1 8 4 12 1 9 4 13 1 10 5 7 1 11 5 8 1 12 6 10 1 13 6 11 2 14 7 9 1 15 7 32 1 16 7 33 1 17 8 16 1 18 8 34 1 19 8 35 1 20 9 11 1 21 9 36 1 22 9 37 1 23 10 14 1 24 10 38 1 25 11 17 1 26 12 39 1 27 12 40 1 28 12 41 1 29 13 42 1 30 13 43 1 31 13 44 1 32 14 15 1 33 14 45 1 34 14 46 1 35 15 16 1 36 15 19 1 37 15 47 1 38 17 48 1 39 17 49 1 40 17 50 1 41 18 20 1 42 18 51 1 43 18 52 1 44 19 53 1 45 19 54 1 46 19 55 1 47 20 22 ar 48 20 23 ar 49 21 24 ar 50 21 25 ar 51 22 26 ar 52 22 56 1 53 23 27 ar 54 23 57 1 55 24 28 ar 56 24 58 1 57 25 29 ar 58 25 59 1 59 26 30 ar 60 26 60 1 61 27 30 ar 62 27 61 1 63 28 31 ar 64 28 62 1 65 29 31 ar 66 29 63 1 67 30 64 1 68 31 65 1