@MOLECULE ethyl (4,7-dihydroxy-2-oxo-2h-chromen-3-yl)(4-hydroxy-2-oxo-2h-chromen-3-yl)acetate 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4352 -1.1612 -0.9470 O.2 1 UNL111111111 -0.3672 2 O 2.5464 1.4682 -1.9301 O.2 1 UNL111111111 -0.3805 3 O 1.8658 -2.8192 0.2944 O.3 1 UNL111111111 -0.4254 4 O -0.4167 1.0615 0.7886 O.3 1 UNL111111111 -0.4310 5 O 1.7521 -0.4183 1.6511 O.3 1 UNL111111111 -0.4141 6 O -0.1231 -2.7204 1.3375 O.2 1 UNL111111111 -0.5025 7 O -1.9970 -2.5781 -1.7539 O.2 1 UNL111111111 -0.3967 8 O 1.1480 0.1775 -2.9784 O.2 1 UNL111111111 -0.3906 9 O -6.8098 1.6314 0.5603 O.3 1 UNL111111111 -0.4502 10 C 0.3311 -1.3096 -0.6225 C.3 1 UNL111111111 -0.0617 11 C -1.0603 -0.7884 -0.4614 C.ar 1 UNL111111111 -0.3358 12 C 1.3551 -0.2211 -0.6209 C.ar 1 UNL111111111 -0.3191 13 C -1.4047 0.3318 0.2364 C.ar 1 UNL111111111 0.4235 14 C 2.0226 0.2032 0.4910 C.ar 1 UNL111111111 0.4022 15 C -2.7791 0.7506 0.3659 C.ar 1 UNL111111111 -0.3457 16 C 0.6129 -2.3332 0.4707 C.2 1 UNL111111111 0.6088 17 C 2.9856 1.2786 0.4293 C.ar 1 UNL111111111 -0.2838 18 C -2.0869 -1.5848 -1.0921 C.ar 1 UNL111111111 0.6192 19 C 1.6063 0.4053 -1.8965 C.ar 1 UNL111111111 0.6109 20 C -3.7509 -0.0634 -0.2542 C.ar 1 UNL111111111 0.3906 21 C 3.1908 1.8684 -0.8267 C.ar 1 UNL111111111 0.3293 22 C -3.2043 1.8918 1.0643 C.ar 1 UNL111111111 0.0188 23 C 3.7137 1.7683 1.5261 C.ar 1 UNL111111111 -0.0587 24 C -5.1183 0.2343 -0.1875 C.ar 1 UNL111111111 -0.3582 25 C 4.0987 2.9307 -1.0060 C.ar 1 UNL111111111 -0.2461 26 C -4.5437 2.2149 1.1480 C.ar 1 UNL111111111 -0.3677 27 C -5.4858 1.3733 0.5165 C.ar 1 UNL111111111 0.3777 28 C 4.6076 2.8092 1.3603 C.ar 1 UNL111111111 -0.2200 29 C 4.7982 3.3896 0.0918 C.ar 1 UNL111111111 -0.0505 30 C 2.2851 -3.8361 1.2145 C.3 1 UNL111111111 0.0076 31 C 3.7382 -4.0909 0.8456 C.3 1 UNL111111111 -0.4632 32 H 0.4034 -1.8698 -1.6131 H 1 UNL111111111 0.2121 33 H -2.4681 2.5366 1.5501 H 1 UNL111111111 0.1384 34 H 3.5750 1.3263 2.5131 H 1 UNL111111111 0.1408 35 H -5.8561 -0.4047 -0.6694 H 1 UNL111111111 0.2094 36 H 4.2282 3.3606 -1.9982 H 1 UNL111111111 0.1858 37 H -4.8741 3.0957 1.6862 H 1 UNL111111111 0.1665 38 H 5.1730 3.1893 2.2083 H 1 UNL111111111 0.1591 39 H -0.7539 1.8410 1.3029 H 1 UNL111111111 0.3245 40 H 5.5098 4.2100 -0.0164 H 1 UNL111111111 0.1553 41 H 2.3068 -0.0960 2.4078 H 1 UNL111111111 0.3283 42 H 1.6404 -4.7202 1.0659 H 1 UNL111111111 0.1336 43 H 2.1604 -3.4610 2.2445 H 1 UNL111111111 0.1280 44 H 3.8314 -4.3942 -0.2066 H 1 UNL111111111 0.1633 45 H 4.3465 -3.1863 0.9689 H 1 UNL111111111 0.1543 46 H 4.1722 -4.8818 1.4658 H 1 UNL111111111 0.1485 47 H -7.0243 2.4502 1.0741 H 1 UNL111111111 0.3320 @BOND 1 1 18 ar 2 1 20 ar 3 2 19 ar 4 2 21 ar 5 3 16 1 6 3 30 1 7 4 13 1 8 4 39 1 9 5 14 1 10 5 41 1 11 6 16 2 12 7 18 2 13 8 19 2 14 9 27 1 15 9 47 1 16 10 11 1 17 10 12 1 18 10 16 1 19 10 32 1 20 11 13 ar 21 11 18 ar 22 12 14 ar 23 12 19 ar 24 13 15 ar 25 14 17 ar 26 15 20 ar 27 15 22 ar 28 17 21 ar 29 17 23 ar 30 20 24 ar 31 21 25 ar 32 22 26 ar 33 22 33 1 34 23 28 ar 35 23 34 1 36 24 27 ar 37 24 35 1 38 25 29 ar 39 25 36 1 40 26 27 ar 41 26 37 1 42 28 29 ar 43 28 38 1 44 29 40 1 45 30 31 1 46 30 42 1 47 30 43 1 48 31 44 1 49 31 45 1 50 31 46 1