@MOLECULE (2r,3r)-3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)-2-phenyl-2,3-dihydro-4h-chromen-4-one 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1682 0.0226 -0.5204 O.3 1 UNL11111111111 -0.3155 2 O 0.7405 3.5775 -0.0161 O.3 1 UNL11111111111 -0.5264 3 O -1.9096 3.3691 0.5459 O.2 1 UNL11111111111 -0.5266 4 O -4.1451 1.8933 0.5115 O.3 1 UNL11111111111 -0.4515 5 O -3.7144 -2.6395 -0.3735 O.3 1 UNL11111111111 -0.4490 6 C 0.7984 1.3100 -0.6105 C.3 1 UNL11111111111 0.0763 7 C 0.2164 2.3330 0.3831 C.3 1 UNL11111111111 0.0039 8 C -1.1588 -0.0438 -0.3175 C.ar 1 UNL11111111111 0.4047 9 C -1.9336 1.0692 0.0642 C.ar 1 UNL11111111111 -0.5223 10 C -1.3059 2.3312 0.3312 C.2 1 UNL11111111111 0.4860 11 C -1.7069 -1.3165 -0.4911 C.ar 1 UNL11111111111 -0.3314 12 C 2.2411 1.0314 -0.3024 C.ar 1 UNL11111111111 -0.0489 13 C -3.3308 0.8803 0.2065 C.ar 1 UNL11111111111 0.4724 14 C -0.8317 -2.4627 -0.8759 C.3 1 UNL11111111111 -0.2192 15 C -3.0903 -1.4511 -0.2717 C.ar 1 UNL11111111111 0.4258 16 C -3.9197 -0.3747 0.0521 C.ar 1 UNL11111111111 -0.4423 17 C 3.2123 1.9064 -0.7922 C.ar 1 UNL11111111111 -0.1281 18 C 2.6092 -0.0701 0.4684 C.ar 1 UNL11111111111 -0.1385 19 C -0.1325 -3.0161 0.3269 C.2 1 UNL11111111111 -0.2392 20 C 4.5563 1.6696 -0.5164 C.ar 1 UNL11111111111 -0.1520 21 C 3.9564 -0.3054 0.7371 C.ar 1 UNL11111111111 -0.1578 22 C 1.1506 -3.4006 0.3439 C.2 1 UNL11111111111 0.0600 23 C 4.9294 0.5616 0.2438 C.ar 1 UNL11111111111 -0.1393 24 C 1.7839 -3.9239 1.5920 C.3 1 UNL11111111111 -0.4560 25 C 2.0472 -3.3348 -0.8475 C.3 1 UNL11111111111 -0.4627 26 H 0.6487 1.6535 -1.6632 H 1 UNL11111111111 0.1654 27 H 0.5646 2.1433 1.4281 H 1 UNL11111111111 0.1713 28 H -1.4029 -3.2688 -1.3864 H 1 UNL11111111111 0.1318 29 H -0.0968 -2.1239 -1.6456 H 1 UNL11111111111 0.1681 30 H -4.9890 -0.5112 0.1846 H 1 UNL11111111111 0.2065 31 H 2.9158 2.7818 -1.3715 H 1 UNL11111111111 0.1655 32 H 1.8501 -0.7532 0.8583 H 1 UNL11111111111 0.1728 33 H 0.0671 4.2894 0.1340 H 1 UNL11111111111 0.3453 34 H -0.7504 -3.0711 1.2206 H 1 UNL11111111111 0.1515 35 H 5.3157 2.3522 -0.8927 H 1 UNL11111111111 0.1501 36 H 4.2469 -1.1663 1.3350 H 1 UNL11111111111 0.1478 37 H 5.9806 0.3768 0.4551 H 1 UNL11111111111 0.1481 38 H -3.6304 2.7644 0.6056 H 1 UNL11111111111 0.3773 39 H -3.0839 -3.3873 -0.5664 H 1 UNL11111111111 0.3380 40 H 1.1090 -3.8960 2.4573 H 1 UNL11111111111 0.1526 41 H 2.1038 -4.9678 1.4642 H 1 UNL11111111111 0.1559 42 H 2.6755 -3.3390 1.8597 H 1 UNL11111111111 0.1550 43 H 1.6093 -3.8447 -1.7165 H 1 UNL11111111111 0.1558 44 H 2.2338 -2.2884 -1.1418 H 1 UNL11111111111 0.1672 45 H 3.0277 -3.7934 -0.6690 H 1 UNL11111111111 0.1518 @BOND 1 1 6 1 2 1 8 1 3 2 7 1 4 2 33 1 5 3 10 2 6 4 13 1 7 4 38 1 8 5 15 1 9 5 39 1 10 6 7 1 11 6 12 1 12 6 26 1 13 7 10 1 14 7 27 1 15 8 9 ar 16 8 11 ar 17 9 10 1 18 9 13 ar 19 11 14 1 20 11 15 ar 21 12 17 ar 22 12 18 ar 23 13 16 ar 24 14 19 1 25 14 28 1 26 14 29 1 27 15 16 ar 28 16 30 1 29 17 20 ar 30 17 31 1 31 18 21 ar 32 18 32 1 33 19 22 2 34 19 34 1 35 20 23 ar 36 20 35 1 37 21 23 ar 38 21 36 1 39 22 24 1 40 22 25 1 41 23 37 1 42 24 40 1 43 24 41 1 44 24 42 1 45 25 43 1 46 25 44 1 47 25 45 1