@MOLECULE (2s)-5-(3-furyl)-2-{2-[(1s,2r)-1,2,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydro-1-naphthalenyl]ethyl}pentyl sulfate 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.0177 0.9530 -1.6962 C.ar 1 UNL1 -0.0030 2 C -5.1912 0.3984 -1.4480 C.ar 1 UNL1 0.0526 3 C -5.0680 -0.8065 -0.6478 C.ar 1 UNL1 0.0024 4 C -2.8988 0.4869 -1.2723 C.ar 1 UNL1 -0.0432 5 C -2.5857 -0.5865 -0.5255 C.ar 1 UNL1 0.0725 6 C -3.9201 -1.3356 -0.1843 C.ar 1 UNL1 0.0344 7 C -3.5058 -2.4234 0.5701 C.ar 1 UNL1 0.0128 8 C -2.3967 -2.8193 0.9566 C.ar 1 UNL1 -0.1074 9 C -1.1361 -2.2753 0.7581 C.ar 1 UNL1 0.2017 10 C -1.2909 -1.0395 -0.0605 C.ar 1 UNL1 -0.1388 11 C -6.3653 -0.3352 -1.0818 C.2 1 UNL1 -0.5065 12 C -7.6674 -0.4869 -1.0904 C.2 1 UNL1 0.4668 13 C -0.1343 -0.3033 -0.3612 C.ar 1 UNL1 0.2514 14 C 1.2219 -0.6345 0.0311 C.ar 1 UNL1 -0.1254 15 C 2.0928 0.3841 -0.4879 C.3 1 UNL1 0.0664 16 C 3.3932 0.5181 -0.4246 C.1 1 UNL1 -0.1815 17 C 1.1742 1.3511 -1.1922 C.2 1 UNL1 0.5436 18 C 4.6626 0.6247 -0.3660 C.1 1 UNL1 0.3001 19 C 5.9378 0.7044 -0.3074 C.3 1 UNL1 -0.4341 20 C 7.2150 0.7821 -0.2449 C.1 1 UNL1 0.5139 21 C 4.9214 -2.4760 0.1791 C.2 1 UNL1 0.4439 22 O 5.9528 -2.8148 0.5269 O.2 1 UNL1 -0.4447 23 C 9.7761 0.9151 -0.1086 C.3 1 UNL1 0.4816 24 C 8.4899 0.8532 -0.1795 C.1 1 UNL1 -0.7441 25 C 1.1941 -1.7820 0.7565 C.ar 1 UNL1 0.0705 26 C 0.1748 -2.4677 1.0524 C.ar 1 UNL1 -0.1180 27 O -0.1659 0.8539 -1.0826 O.3 1 UNL1 -0.3341 28 S -2.6396 2.4148 1.9915 S.3 2 UNL2 1.3867 29 O -1.3378 2.1116 2.4723 O.2 2 UNL2 -0.6853 30 O 1.3395 2.3683 -1.7779 O.2 1 UNL1 -0.3336 31 O -3.5591 1.5011 1.4075 O.2 2 UNL2 -0.7017 @BOND 1 30 17 2 2 1 2 ar 3 1 4 ar 4 2 11 1 5 2 3 ar 6 4 5 ar 7 17 27 1 8 17 15 1 9 12 11 2 10 27 13 1 11 11 3 1 12 3 6 ar 13 5 6 ar 14 5 10 ar 15 15 16 1 16 15 14 1 17 16 18 3 18 18 19 1 19 13 10 ar 20 13 14 ar 21 19 20 1 22 20 24 3 23 6 7 ar 24 24 23 1 25 10 9 ar 26 14 25 ar 27 21 22 2 28 7 8 ar 29 25 26 ar 30 9 8 ar 31 9 26 ar 32 31 28 2 33 28 29 2