@MOLECULE 3-{7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-4h-chromen-2-yl}propanoic acid 71 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2178 2.4063 -1.0664 O.2 1 UNL1 -0.2512 2 O -3.3046 -1.0721 -0.9404 O.3 1 UNL1 -0.3328 3 O -1.3659 -2.8601 0.2017 O.3 1 UNL1 -0.3247 4 O -1.9140 4.3549 2.0861 O.2 1 UNL1 -0.4781 5 O 2.4125 -0.7147 2.0175 O.3 1 UNL1 -0.4383 6 O 4.6051 -0.7566 0.5979 O.2 1 UNL1 -0.4944 7 O 3.3854 1.6278 0.6802 O.3 1 UNL1 -0.5853 8 O 3.0959 1.3623 -1.5237 O.2 1 UNL1 -0.5373 9 C -1.7610 0.6667 -0.9881 C.ar 1 UNL1 -0.1728 10 C -1.0364 -0.0024 -2.1044 C.3 1 UNL1 -0.2492 11 C -1.3251 1.8836 -0.4546 C.ar 1 UNL1 0.2662 12 C -2.8894 0.0947 -0.3831 C.ar 1 UNL1 0.2917 13 C -1.9495 2.5069 0.6287 C.ar 1 UNL1 -0.3073 14 C -1.8623 0.0276 -3.3995 C.3 1 UNL1 -0.2422 15 C -3.5570 0.7071 0.6905 C.ar 1 UNL1 -0.3461 16 C -3.0821 1.9097 1.1898 C.ar 1 UNL1 0.0178 17 C -3.5036 -3.3891 -0.5941 C.3 1 UNL1 -0.3135 18 C 0.3196 3.5544 -0.5576 C.ar 1 UNL1 0.2995 19 C -3.8897 -2.0174 -0.0345 C.3 1 UNL1 -0.0318 20 C 0.4446 -1.7207 1.0685 C.ar 1 UNL1 -0.2664 21 C -0.4802 -1.0517 2.0260 C.3 1 UNL1 -0.2400 22 C -1.4061 3.7677 1.1564 C.ar 1 UNL1 0.5163 23 C -2.0133 -3.4477 -0.9351 C.3 1 UNL1 -0.0365 24 C -0.0434 -2.6020 0.0914 C.ar 1 UNL1 0.3269 25 C 1.5515 3.8674 -1.3401 C.3 1 UNL1 -0.2916 26 C -0.2016 4.2383 0.4740 C.ar 1 UNL1 -0.4508 27 C -0.8793 -2.0025 3.1651 C.3 1 UNL1 -0.2475 28 C -1.1287 -0.7131 -4.5164 C.3 1 UNL1 -0.4364 29 C 1.8251 -1.4901 1.0876 C.ar 1 UNL1 0.3781 30 C 2.7011 -2.0821 0.1583 C.ar 1 UNL1 -0.3298 31 C 0.7975 -3.1767 -0.8732 C.ar 1 UNL1 -0.3771 32 C 2.7957 3.5473 -0.5101 C.3 1 UNL1 -0.3378 33 C 2.1579 -2.9081 -0.8276 C.ar 1 UNL1 0.0289 34 C -1.8862 -1.3319 4.0968 C.3 1 UNL1 -0.4367 35 C 4.1446 -1.8149 0.2243 C.2 1 UNL1 0.5587 36 C 3.0932 2.0692 -0.5473 C.2 1 UNL1 0.6582 37 C 5.0779 -2.9192 -0.1847 C.3 1 UNL1 -0.5443 38 H -0.0419 0.4632 -2.2817 H 1 UNL1 0.1678 39 H -0.8070 -1.0538 -1.8259 H 1 UNL1 0.1511 40 H -2.8561 -0.4279 -3.2254 H 1 UNL1 0.1407 41 H -2.0576 1.0753 -3.6958 H 1 UNL1 0.1394 42 H -4.4449 0.2526 1.1160 H 1 UNL1 0.1686 43 H -3.5823 2.4069 2.0275 H 1 UNL1 0.1748 44 H -4.0893 -3.6134 -1.5075 H 1 UNL1 0.1590 45 H -3.7638 -4.1679 0.1494 H 1 UNL1 0.1567 46 H -4.9800 -1.8495 -0.0501 H 1 UNL1 0.1289 47 H -3.4956 -1.8837 0.9909 H 1 UNL1 0.1466 48 H -0.0448 -0.1179 2.4400 H 1 UNL1 0.1376 49 H -1.3964 -0.7124 1.4899 H 1 UNL1 0.1637 50 H -1.7827 -2.8493 -1.8384 H 1 UNL1 0.1502 51 H -1.6559 -4.4842 -1.0541 H 1 UNL1 0.1259 52 H 1.5481 4.9358 -1.6436 H 1 UNL1 0.1701 53 H 1.5746 3.2888 -2.2982 H 1 UNL1 0.1950 54 H 0.2398 5.1549 0.8539 H 1 UNL1 0.1949 55 H 0.0173 -2.3221 3.7275 H 1 UNL1 0.1373 56 H -1.3104 -2.9292 2.7388 H 1 UNL1 0.1408 57 H -1.6972 -0.6829 -5.4517 H 1 UNL1 0.1375 58 H -0.9657 -1.7651 -4.2610 H 1 UNL1 0.1346 59 H -0.1459 -0.2662 -4.7112 H 1 UNL1 0.1490 60 H 0.4030 -3.8280 -1.6428 H 1 UNL1 0.1665 61 H 2.6824 3.8965 0.5406 H 1 UNL1 0.1881 62 H 3.6807 4.0880 -0.9087 H 1 UNL1 0.1743 63 H 2.8142 -3.3507 -1.5806 H 1 UNL1 0.1512 64 H -1.4733 -0.4231 4.5504 H 1 UNL1 0.1481 65 H -2.7992 -1.0456 3.5627 H 1 UNL1 0.1408 66 H -2.1790 -2.0023 4.9120 H 1 UNL1 0.1382 67 H 1.7498 -0.2345 2.5911 H 1 UNL1 0.3412 68 H 5.1848 -2.9530 -1.2780 H 1 UNL1 0.1766 69 H 4.7354 -3.9024 0.1586 H 1 UNL1 0.1712 70 H 6.0859 -2.7527 0.2265 H 1 UNL1 0.1823 71 H 3.7246 0.6671 0.7226 H 1 UNL1 0.4086 @BOND 1 57 28 1 2 59 28 1 3 28 58 1 4 28 14 1 5 41 14 1 6 14 40 1 7 14 10 1 8 53 25 1 9 38 10 1 10 10 39 1 11 10 9 1 12 50 23 1 13 52 25 1 14 60 31 1 15 63 33 1 16 8 36 2 17 44 17 1 18 25 18 1 19 25 32 1 20 68 37 1 21 1 18 ar 22 1 11 ar 23 51 23 1 24 9 11 ar 25 9 12 ar 26 2 12 1 27 2 19 1 28 23 17 1 29 23 3 1 30 62 32 1 31 31 33 ar 32 31 24 ar 33 33 30 ar 34 17 19 1 35 17 45 1 36 18 26 ar 37 36 32 1 38 36 7 1 39 32 61 1 40 11 13 ar 41 12 15 ar 42 37 69 1 43 37 35 1 44 37 70 1 45 46 19 1 46 19 47 1 47 24 3 1 48 24 20 ar 49 30 35 1 50 30 29 ar 51 35 6 2 52 26 54 1 53 26 22 ar 54 13 22 ar 55 13 16 ar 56 7 71 1 57 15 42 1 58 15 16 ar 59 20 29 ar 60 20 21 1 61 29 5 1 62 22 4 2 63 16 43 1 64 49 21 1 65 5 67 1 66 21 48 1 67 21 27 1 68 56 27 1 69 27 55 1 70 27 34 1 71 65 34 1 72 34 64 1 73 34 66 1