@MOLECULE 5-[3-(2-carboxy-4-oxo-chromen-6-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid 50 53 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.7232 -0.8665 -0.4214 O.3 1 UNL111111111 -0.2838 2 O -2.7519 1.4868 0.9583 O.3 1 UNL111111111 -0.3514 3 O -5.5811 1.8090 1.0632 O.3 1 UNL111111111 -0.5458 4 O 0.8739 -1.7735 -1.2524 O.2 1 UNL111111111 -0.2034 5 O 2.6933 1.0077 1.2084 O.2 1 UNL111111111 -0.1917 6 O -2.3425 -2.3489 1.2039 O.2 1 UNL111111111 -0.4468 7 O 1.0399 2.8248 -2.0705 O.2 1 UNL111111111 -0.4254 8 O 3.2582 -2.1686 -0.4997 O.3 1 UNL111111111 -0.5094 9 O 5.1566 0.7558 1.6148 O.3 1 UNL111111111 -0.5096 10 O 2.6775 -3.7680 0.9519 O.2 1 UNL111111111 -0.4552 11 O 5.7374 1.2392 -0.4873 O.2 1 UNL111111111 -0.4575 12 C -4.9107 0.5725 1.0390 C.3 1 UNL111111111 0.1220 13 C -4.7252 0.1545 -0.4358 C.3 1 UNL111111111 -0.1025 14 C -3.5735 0.6572 1.7858 C.3 1 UNL111111111 -0.1072 15 C -2.6483 -0.7024 -1.2180 C.ar 1 UNL111111111 0.3621 16 C -1.4846 -1.3743 -0.7807 C.ar 1 UNL111111111 -0.3698 17 C -1.4056 1.3419 1.0870 C.ar 1 UNL111111111 0.1955 18 C -0.3455 -1.2366 -1.5802 C.ar 1 UNL111111111 0.2964 19 C 0.7018 1.7818 0.0230 C.ar 1 UNL111111111 -0.1877 20 C -0.6869 1.8830 0.0159 C.ar 1 UNL111111111 -0.1451 21 C 1.3288 1.1653 1.1061 C.ar 1 UNL111111111 0.1581 22 C -2.6561 0.0235 -2.4129 C.ar 1 UNL111111111 -0.3708 23 C -1.4124 -2.1476 0.4577 C.ar 1 UNL111111111 0.5082 24 C -0.7662 0.7347 2.1766 C.ar 1 UNL111111111 -0.1981 25 C -0.3211 -0.5156 -2.7748 C.ar 1 UNL111111111 -0.3116 26 C 0.6182 0.6421 2.1893 C.ar 1 UNL111111111 -0.1672 27 C -1.4952 0.1100 -3.1790 C.ar 1 UNL111111111 0.0298 28 C 1.5147 2.2785 -1.1029 C.ar 1 UNL111111111 0.4845 29 C -0.0637 -2.6649 0.7687 C.ar 1 UNL111111111 -0.3231 30 C 0.9598 -2.4372 -0.0648 C.ar 1 UNL111111111 0.1339 31 C 2.9574 2.0382 -0.9489 C.ar 1 UNL111111111 -0.3305 32 C 3.4335 1.4352 0.1511 C.ar 1 UNL111111111 0.1473 33 C 2.3537 -2.8887 0.1979 C.2 1 UNL111111111 0.6126 34 C 4.8806 1.1459 0.3516 C.2 1 UNL111111111 0.6074 35 H -5.6140 -0.1080 1.5749 H 1 UNL111111111 0.1617 36 H -4.4623 1.0298 -1.0527 H 1 UNL111111111 0.1504 37 H -5.6273 -0.3314 -0.8473 H 1 UNL111111111 0.1516 38 H -3.1373 -0.3545 1.9148 H 1 UNL111111111 0.1771 39 H -3.6800 1.1636 2.7610 H 1 UNL111111111 0.1452 40 H -1.2033 2.3635 -0.8187 H 1 UNL111111111 0.1933 41 H -3.5619 0.5129 -2.7585 H 1 UNL111111111 0.1759 42 H -1.3416 0.3348 3.0109 H 1 UNL111111111 0.1773 43 H 0.5954 -0.4382 -3.3553 H 1 UNL111111111 0.1910 44 H 1.1472 0.1719 3.0181 H 1 UNL111111111 0.1825 45 H -1.5047 0.6856 -4.1090 H 1 UNL111111111 0.1619 46 H -4.9764 2.5403 0.8113 H 1 UNL111111111 0.3288 47 H 0.0403 -3.2269 1.6990 H 1 UNL111111111 0.2120 48 H 3.6002 2.3579 -1.7721 H 1 UNL111111111 0.2117 49 H 4.1946 -2.4689 -0.3461 H 1 UNL111111111 0.3581 50 H 6.1238 0.5786 1.7642 H 1 UNL111111111 0.3570 @BOND 1 45 27 1 2 43 25 1 3 27 25 ar 4 27 22 ar 5 25 18 ar 6 41 22 1 7 22 15 ar 8 7 28 2 9 48 31 1 10 18 4 ar 11 18 16 ar 12 4 30 ar 13 15 16 ar 14 15 1 1 15 28 31 ar 16 28 19 ar 17 36 13 1 18 31 32 ar 19 37 13 1 20 40 20 1 21 16 23 ar 22 8 49 1 23 8 33 1 24 11 34 2 25 13 1 1 26 13 12 1 27 30 33 1 28 30 29 ar 29 20 19 ar 30 20 17 ar 31 19 21 ar 32 32 34 1 33 32 5 ar 34 33 10 2 35 34 9 1 36 23 29 ar 37 23 6 2 38 29 47 1 39 46 3 1 40 2 17 1 41 2 14 1 42 12 3 1 43 12 35 1 44 12 14 1 45 17 24 ar 46 21 5 ar 47 21 26 ar 48 9 50 1 49 14 38 1 50 14 39 1 51 24 26 ar 52 24 42 1 53 26 44 1