@MOLECULE 3-{7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3,4-dihydro-2h-chromen-2-yl}propanoic acid 76 78 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.5111 0.1047 0.3155 O.3 1 UNL11 -0.3584 2 O -5.9095 -3.4452 1.7352 O.2 1 UNL11 -0.4634 3 O -0.4289 -1.6343 -0.9520 O.3 1 UNL11 -0.3264 4 O -5.9328 4.6653 -0.5933 O.3 1 UNL11 -0.5710 5 O -7.0341 4.0494 1.2421 O.2 1 UNL11 -0.5095 6 O 3.6704 -0.8834 -0.8695 O.3 1 UNL11 -0.3409 7 O 8.0355 0.6854 -0.1230 O.3 1 UNL11 -0.4702 8 O 7.2490 1.3568 3.7970 O.2 1 UNL11 -0.4940 9 C -5.9300 -0.0903 0.4804 C.3 1 UNL11 0.3095 10 C -6.2029 -1.0927 1.6027 C.3 1 UNL11 -0.4533 11 C -6.4025 1.3223 0.8660 C.3 1 UNL11 -0.2919 12 C -6.5026 -0.5672 -0.8515 C.3 1 UNL11 -0.5043 13 C -3.7364 -0.9974 0.2447 C.ar 1 UNL11 0.3416 14 C -5.4566 -2.3882 1.3670 C.2 1 UNL11 0.5126 15 C -4.1578 -2.2530 0.7106 C.ar 1 UNL11 -0.3753 16 C -2.4651 -0.7938 -0.3032 C.ar 1 UNL11 -0.2286 17 C -5.9404 2.3691 -0.1480 C.3 1 UNL11 -0.3382 18 C -2.0419 0.5560 -0.7759 C.3 1 UNL11 -0.2336 19 C -1.6350 -1.9200 -0.4126 C.ar 1 UNL11 0.3191 20 C -3.3025 -3.3484 0.5702 C.ar 1 UNL11 0.0482 21 C -2.0449 -3.1958 0.0041 C.ar 1 UNL11 -0.3850 22 C -2.5913 0.8196 -2.1888 C.3 1 UNL11 -0.2442 23 C -6.3805 3.7279 0.2856 C.2 1 UNL11 0.6450 24 C 0.4862 -2.7145 -1.1705 C.3 1 UNL11 -0.0421 25 C -2.2600 2.2391 -2.6433 C.3 1 UNL11 -0.4368 26 C 1.7670 -1.9977 -1.5876 C.3 1 UNL11 -0.3148 27 C 2.3832 -1.2838 -0.3830 C.3 1 UNL11 -0.0319 28 C 5.8170 -0.1256 -0.5252 C.ar 1 UNL11 -0.2839 29 C 4.5518 -0.3858 0.0259 C.ar 1 UNL11 0.3336 30 C 6.0861 -0.3736 -1.9711 C.3 1 UNL11 -0.2467 31 C 5.8583 0.9126 -2.7842 C.3 1 UNL11 -0.2493 32 C 6.7960 0.3924 0.3305 C.ar 1 UNL11 0.3692 33 C 4.2685 -0.1354 1.3740 C.ar 1 UNL11 -0.3864 34 C 6.5567 0.6341 1.6928 C.ar 1 UNL11 -0.3293 35 C 5.2748 0.3662 2.1880 C.ar 1 UNL11 0.0461 36 C 6.2015 0.6972 -4.2559 C.3 1 UNL11 -0.4399 37 C 7.5602 1.1529 2.6431 C.2 1 UNL11 0.5346 38 C 8.9586 1.4177 2.1799 C.3 1 UNL11 -0.5303 39 H -6.1923 5.5883 -0.3562 H 1 UNL11 0.3567 40 H 8.1319 0.5256 -1.1001 H 1 UNL11 0.3378 41 H -7.2897 -1.2875 1.7028 H 1 UNL11 0.1878 42 H -5.8862 -0.6872 2.5879 H 1 UNL11 0.1881 43 H -6.0152 1.5879 1.8736 H 1 UNL11 0.1706 44 H -7.5068 1.3333 0.9621 H 1 UNL11 0.1664 45 H -6.2264 -1.6093 -1.0631 H 1 UNL11 0.1677 46 H -6.1236 0.0307 -1.6901 H 1 UNL11 0.1645 47 H -7.5967 -0.5115 -0.8636 H 1 UNL11 0.1644 48 H -6.3301 2.1518 -1.1665 H 1 UNL11 0.1829 49 H -4.8292 2.3460 -0.2651 H 1 UNL11 0.2024 50 H -0.9365 0.6516 -0.7767 H 1 UNL11 0.1524 51 H -2.4040 1.3403 -0.0778 H 1 UNL11 0.1522 52 H -3.6401 -4.3312 0.9185 H 1 UNL11 0.1718 53 H -1.3981 -4.0577 -0.1057 H 1 UNL11 0.1704 54 H -3.6861 0.6596 -2.1991 H 1 UNL11 0.1355 55 H -2.1701 0.0798 -2.8948 H 1 UNL11 0.1362 56 H 0.0846 -3.3569 -1.9742 H 1 UNL11 0.1357 57 H 0.6124 -3.3031 -0.2450 H 1 UNL11 0.1356 58 H -2.7195 2.9887 -1.9885 H 1 UNL11 0.1445 59 H -2.6234 2.4247 -3.6600 H 1 UNL11 0.1397 60 H -1.1789 2.4184 -2.6423 H 1 UNL11 0.1433 61 H 1.5565 -1.2660 -2.3964 H 1 UNL11 0.1740 62 H 2.4908 -2.7179 -2.0193 H 1 UNL11 0.1673 63 H 1.8138 -0.3819 -0.0947 H 1 UNL11 0.1459 64 H 2.5025 -1.9563 0.4843 H 1 UNL11 0.1332 65 H 5.4244 -1.1791 -2.3594 H 1 UNL11 0.1622 66 H 7.1113 -0.7632 -2.1337 H 1 UNL11 0.1330 67 H 6.4550 1.7439 -2.3650 H 1 UNL11 0.1357 68 H 4.8006 1.2276 -2.6803 H 1 UNL11 0.1478 69 H 3.2843 -0.3195 1.7885 H 1 UNL11 0.1738 70 H 5.0713 0.5622 3.2497 H 1 UNL11 0.1790 71 H 7.2497 0.4108 -4.3918 H 1 UNL11 0.1398 72 H 6.0324 1.6102 -4.8391 H 1 UNL11 0.1449 73 H 5.5831 -0.0918 -4.6996 H 1 UNL11 0.1446 74 H 9.5938 1.7656 3.0070 H 1 UNL11 0.1715 75 H 8.9796 2.1872 1.3938 H 1 UNL11 0.1811 76 H 9.4203 0.5135 1.7572 H 1 UNL11 0.1795 @BOND 1 72 36 1 2 73 36 1 3 71 36 1 4 36 31 1 5 59 25 1 6 55 22 1 7 31 68 1 8 31 67 1 9 31 30 1 10 25 60 1 11 25 22 1 12 25 58 1 13 61 26 1 14 65 30 1 15 54 22 1 16 22 18 1 17 66 30 1 18 62 26 1 19 56 24 1 20 30 28 1 21 46 12 1 22 26 24 1 23 26 27 1 24 24 3 1 25 24 57 1 26 48 17 1 27 40 7 1 28 45 12 1 29 3 19 1 30 6 27 1 31 6 29 1 32 47 12 1 33 12 9 1 34 50 18 1 35 18 16 1 36 18 51 1 37 4 39 1 38 4 23 1 39 28 29 ar 40 28 32 ar 41 19 16 ar 42 19 21 ar 43 27 63 1 44 27 64 1 45 16 13 ar 46 49 17 1 47 17 23 1 48 17 11 1 49 7 32 1 50 53 21 1 51 21 20 ar 52 29 33 ar 53 13 1 1 54 13 15 ar 55 23 5 2 56 1 9 1 57 32 34 ar 58 9 11 1 59 9 10 1 60 20 15 ar 61 20 52 1 62 15 14 1 63 11 44 1 64 11 43 1 65 14 10 1 66 14 2 2 67 33 69 1 68 33 35 ar 69 75 38 1 70 10 41 1 71 10 42 1 72 34 35 ar 73 34 37 1 74 76 38 1 75 38 37 1 76 38 74 1 77 35 70 1 78 37 8 2