@MOLECULE (2s)-6-acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-chromanecarboxylic acid 70 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.8475 1.8973 0.2318 C.3 1 UNL1 0.0399 2 C 6.2955 -1.9614 -0.1943 C.ar 1 UNL1 0.0176 3 C 4.6404 0.2394 0.3416 C.ar 1 UNL1 -0.4222 4 C -6.8472 2.3559 -0.0883 C.ar 1 UNL1 0.0343 5 C -5.5815 1.8205 0.0587 C.ar 1 UNL1 -0.3876 6 C -6.3837 -1.9033 0.3886 C.3 1 UNL1 -0.2317 7 C 1.8826 -0.2195 0.4712 C.3 1 UNL1 -0.0420 8 C -3.0652 0.5669 0.3583 C.3 1 UNL1 -0.0505 9 C -5.9307 -2.5366 -0.9389 C.3 1 UNL1 -0.2423 10 C -1.9699 -0.4963 0.4718 C.3 1 UNL1 -0.2916 11 C 0.5113 -0.8974 0.4582 C.3 1 UNL1 -0.2908 12 C -0.5907 0.1659 0.4314 C.3 1 UNL1 -0.2658 13 C 3.0699 -3.8901 0.4459 C.3 1 UNL1 -0.5335 14 C -9.5150 3.5846 -0.4004 C.3 1 UNL1 -0.5392 15 C -5.7524 -4.0461 -0.7859 C.3 1 UNL1 -0.4370 16 H -9.7373 -0.1996 -0.0192 H 1 UNL1 0.3830 17 C -7.8184 0.1513 0.0774 C.ar 1 UNL1 0.4129 18 C -7.9926 1.5475 -0.0816 C.ar 1 UNL1 -0.4102 19 C 4.9259 -2.1670 0.0043 C.ar 1 UNL1 -0.3282 20 C -6.5477 -0.4287 0.2320 C.ar 1 UNL1 -0.2353 21 C 4.1074 -1.0462 0.2471 C.ar 1 UNL1 0.3467 22 C -5.4430 0.4284 0.2182 C.ar 1 UNL1 0.3244 23 O 7.3292 3.9280 -1.0655 O.2 1 UNL1 -0.4516 24 O -10.3230 1.3875 -0.2202 O.2 1 UNL1 -0.5374 25 O 5.1356 -4.4221 -0.5522 O.2 1 UNL1 -0.4865 26 C 8.3147 -0.4661 -0.3662 C.3 1 UNL1 -0.2351 27 C 8.5484 0.9924 -0.7755 C.3 1 UNL1 -0.3138 28 O -8.8485 -0.6983 0.0925 O.3 1 UNL1 -0.4670 29 O 8.9387 3.9493 0.4825 O.3 1 UNL1 -0.5665 30 C 7.9468 3.3441 -0.2227 C.2 1 UNL1 0.6002 31 C 4.4322 -3.5560 -0.0795 C.2 1 UNL1 0.5316 32 C -9.3334 2.1060 -0.2309 C.2 1 UNL1 0.5530 33 O 2.7931 -1.3249 0.3790 O.3 1 UNL1 -0.3374 34 O -4.2658 -0.2148 0.3697 O.3 1 UNL1 -0.3196 35 H 9.0832 4.8970 0.2389 H 1 UNL1 0.3600 36 C 6.0185 0.3892 0.1654 C.ar 1 UNL1 0.3384 37 C 6.8604 -0.6940 -0.1237 C.ar 1 UNL1 -0.2203 38 O 6.4372 1.6724 0.2962 O.3 1 UNL1 -0.3156 39 H 8.2348 1.7621 1.2709 H 1 UNL1 0.1732 40 H 6.9277 -2.8313 -0.4167 H 1 UNL1 0.1788 41 H 4.0337 1.1141 0.5458 H 1 UNL1 0.1883 42 H -6.9522 3.4366 -0.2123 H 1 UNL1 0.1478 43 H -4.7150 2.4691 0.0503 H 1 UNL1 0.1659 44 H 8.6941 -1.1461 -1.1584 H 1 UNL1 0.1590 45 H 8.9019 -0.7160 0.5428 H 1 UNL1 0.1527 46 H 8.1475 1.1679 -1.7971 H 1 UNL1 0.1734 47 H 9.6296 1.2221 -0.8250 H 1 UNL1 0.1619 48 H -7.3337 -2.3727 0.7236 H 1 UNL1 0.1624 49 H -5.6445 -2.1269 1.1856 H 1 UNL1 0.1462 50 H 2.8992 -3.4616 1.4428 H 1 UNL1 0.1751 51 H 2.2872 -3.4950 -0.2195 H 1 UNL1 0.1807 52 H 2.9256 -4.9782 0.5134 H 1 UNL1 0.1747 53 H -9.0024 3.9560 -1.2978 H 1 UNL1 0.1748 54 H -10.5827 3.8391 -0.5080 H 1 UNL1 0.1845 55 H -9.1368 4.1416 0.4673 H 1 UNL1 0.1748 56 H 2.0271 0.4481 -0.3964 H 1 UNL1 0.1363 57 H 2.0744 0.3248 1.4112 H 1 UNL1 0.1319 58 H -3.0743 1.2561 1.2194 H 1 UNL1 0.1307 59 H -3.0015 1.1320 -0.5872 H 1 UNL1 0.1314 60 H -6.6743 -2.3164 -1.7283 H 1 UNL1 0.1413 61 H -4.9840 -2.0705 -1.2705 H 1 UNL1 0.1343 62 H -2.1028 -1.0772 1.4060 H 1 UNL1 0.1578 63 H -2.0790 -1.2337 -0.3490 H 1 UNL1 0.1605 64 H 0.4290 -1.5665 -0.4221 H 1 UNL1 0.1590 65 H 0.4028 -1.5555 1.3422 H 1 UNL1 0.1548 66 H -0.4931 0.7883 -0.4801 H 1 UNL1 0.1427 67 H -0.4761 0.8571 1.2889 H 1 UNL1 0.1403 68 H -4.9919 -4.2854 -0.0351 H 1 UNL1 0.1385 69 H -6.6874 -4.5277 -0.4762 H 1 UNL1 0.1451 70 H -5.4419 -4.5061 -1.7301 H 1 UNL1 0.1381 @BOND 1 46 27 1 2 70 15 1 3 60 9 1 4 53 14 1 5 61 9 1 6 44 26 1 7 23 30 2 8 9 15 1 9 9 6 1 10 47 27 1 11 15 69 1 12 15 68 1 13 27 26 1 14 27 1 1 15 59 8 1 16 25 31 2 17 54 14 1 18 66 12 1 19 64 11 1 20 40 2 1 21 14 32 1 22 14 55 1 23 56 7 1 24 26 37 1 25 26 45 1 26 63 10 1 27 32 24 2 28 32 18 1 29 30 1 1 30 30 29 1 31 51 13 1 32 42 4 1 33 2 37 ar 34 2 19 ar 35 37 36 ar 36 4 18 ar 37 4 5 ar 38 18 17 ar 39 31 19 1 40 31 13 1 41 16 28 1 42 19 21 ar 43 43 5 1 44 5 22 ar 45 17 28 1 46 17 20 ar 47 36 38 1 48 36 3 ar 49 22 20 ar 50 22 34 1 51 1 38 1 52 1 39 1 53 20 6 1 54 35 29 1 55 21 3 ar 56 21 33 1 57 3 41 1 58 8 34 1 59 8 10 1 60 8 58 1 61 33 7 1 62 6 48 1 63 6 49 1 64 12 11 1 65 12 10 1 66 12 67 1 67 13 52 1 68 13 50 1 69 11 7 1 70 11 65 1 71 7 57 1 72 10 62 1