@MOLECULE (2r,3r)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7971 1.5159 -0.9922 O.3 1 UNL1111111111 -0.3457 2 O -1.2191 0.2068 1.4038 O.3 1 UNL1111111111 -0.4226 3 O 1.6131 0.1867 -2.8397 O.3 1 UNL1111111111 -0.4788 4 O 2.7799 3.2668 0.4730 O.3 1 UNL1111111111 -0.4290 5 O 0.1946 1.1580 2.8788 O.2 1 UNL1111111111 -0.4978 6 O 3.5000 1.5886 -1.4401 O.3 1 UNL1111111111 -0.4333 7 O 0.9678 -4.0815 0.0808 O.3 1 UNL1111111111 -0.4875 8 O 4.3141 -0.7913 0.1956 O.3 1 UNL1111111111 -0.4320 9 O 3.5048 -3.2481 -0.4749 O.3 1 UNL1111111111 -0.3974 10 C -2.0969 1.3301 1.4175 C.3 1 UNL1111111111 0.0919 11 C -1.9550 2.0256 0.0395 C.3 1 UNL1111111111 0.0587 12 C -3.4880 0.7164 1.6060 C.3 1 UNL1111111111 -0.2978 13 C -3.7630 -0.1683 0.4397 C.ar 1 UNL1111111111 -0.0877 14 C -0.5269 1.9522 -0.4395 C.ar 1 UNL1111111111 0.0470 15 C -3.3425 0.2796 -0.8187 C.ar 1 UNL1111111111 0.2275 16 C -4.3860 -1.4072 0.5340 C.ar 1 UNL1111111111 -0.1193 17 C 0.4389 2.7268 0.2093 C.ar 1 UNL1111111111 -0.3372 18 C -0.1709 1.0971 -1.4775 C.ar 1 UNL1111111111 -0.2788 19 C -3.5450 -0.4683 -1.9787 C.ar 1 UNL1111111111 -0.2380 20 C -4.5934 -2.1720 -0.6150 C.ar 1 UNL1111111111 -0.2008 21 C -4.1800 -1.7025 -1.8613 C.ar 1 UNL1111111111 -0.1044 22 C -0.0232 0.3140 2.0496 C.2 1 UNL1111111111 0.6158 23 C 1.1722 0.9960 -1.8394 C.ar 1 UNL1111111111 0.2097 24 C 1.7805 2.6008 -0.1539 C.ar 1 UNL1111111111 0.2499 25 C 2.1711 1.7202 -1.1769 C.ar 1 UNL1111111111 0.0762 26 C 0.8926 -0.7017 1.4933 C.ar 1 UNL1111111111 -0.0677 27 C 2.2001 -0.2992 1.2315 C.ar 1 UNL1111111111 -0.2418 28 C 0.4304 -1.9645 1.1313 C.ar 1 UNL1111111111 -0.2338 29 C 1.3149 -2.8296 0.4917 C.ar 1 UNL1111111111 0.1664 30 C 3.0569 -1.1575 0.5405 C.ar 1 UNL1111111111 0.2257 31 C 2.6302 -2.4489 0.1786 C.ar 1 UNL1111111111 0.1329 32 H -1.8304 2.0285 2.2421 H 1 UNL1111111111 0.1604 33 H -2.3112 3.0851 0.0989 H 1 UNL1111111111 0.1614 34 H -4.2572 1.5137 1.6835 H 1 UNL1111111111 0.1667 35 H -3.5268 0.1575 2.5642 H 1 UNL1111111111 0.1687 36 H -4.7142 -1.7809 1.5027 H 1 UNL1111111111 0.1520 37 H 0.1569 3.4017 1.0120 H 1 UNL1111111111 0.1717 38 H -0.9251 0.5030 -1.9896 H 1 UNL1111111111 0.1822 39 H -3.2223 -0.0848 -2.9420 H 1 UNL1111111111 0.1695 40 H -5.0837 -3.1393 -0.5370 H 1 UNL1111111111 0.1529 41 H -4.3525 -2.3052 -2.7521 H 1 UNL1111111111 0.1516 42 H 2.5514 0.6860 1.5457 H 1 UNL1111111111 0.1908 43 H -0.6002 -2.2541 1.3217 H 1 UNL1111111111 0.1770 44 H 0.9053 -0.4363 -3.1416 H 1 UNL1111111111 0.3437 45 H 2.4323 3.8328 1.2104 H 1 UNL1111111111 0.3253 46 H 3.6288 0.9650 -2.2089 H 1 UNL1111111111 0.3402 47 H 0.0552 -4.3220 0.3763 H 1 UNL1111111111 0.3422 48 H 4.3588 0.2022 0.0733 H 1 UNL1111111111 0.3442 49 H 3.0937 -4.1405 -0.6451 H 1 UNL1111111111 0.3296 @BOND 1 1 11 1 2 1 15 1 3 2 10 1 4 2 22 1 5 3 23 1 6 3 44 1 7 4 24 1 8 4 45 1 9 5 22 2 10 6 25 1 11 6 46 1 12 7 29 1 13 7 47 1 14 8 30 1 15 8 48 1 16 9 31 1 17 9 49 1 18 10 11 1 19 10 12 1 20 10 32 1 21 11 14 1 22 11 33 1 23 12 13 1 24 12 34 1 25 12 35 1 26 13 15 ar 27 13 16 ar 28 14 17 ar 29 14 18 ar 30 15 19 ar 31 16 20 ar 32 16 36 1 33 17 24 ar 34 17 37 1 35 18 23 ar 36 18 38 1 37 19 21 ar 38 19 39 1 39 20 21 ar 40 20 40 1 41 21 41 1 42 22 26 1 43 23 25 ar 44 24 25 ar 45 26 27 ar 46 26 28 ar 47 27 30 ar 48 27 42 1 49 28 29 ar 50 28 43 1 51 29 31 ar 52 30 31 ar