@MOLECULE (2r,3s)-2-(3,4-dihydroxyphenyl)-3-(heptyloxy)-5,7-chromanediol 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2615 -2.4767 -0.2998 O.3 1 UNL1111111111 -0.4180 2 O 1.6026 0.8425 -0.8945 O.3 1 UNL1111111111 -0.3225 3 O 5.2522 -1.6401 1.0791 O.3 1 UNL1111111111 -0.4651 4 O 5.5994 2.9541 0.0663 O.3 1 UNL1111111111 -0.4615 5 O -3.7708 -0.9202 -2.7429 O.3 1 UNL1111111111 -0.4932 6 O -4.5121 1.3960 -1.5077 O.3 1 UNL1111111111 -0.4534 7 C 0.9975 -1.3243 0.0568 C.3 1 UNL1111111111 0.0820 8 C 0.8323 -0.3452 -1.1263 C.3 1 UNL1111111111 0.0722 9 C 2.4763 -1.7345 0.1640 C.3 1 UNL1111111111 -0.2889 10 C 3.3380 -0.5248 0.1175 C.ar 1 UNL1111111111 -0.3513 11 C -0.5825 0.1325 -1.2484 C.ar 1 UNL1111111111 -0.0364 12 C 2.8489 0.6857 -0.3963 C.ar 1 UNL1111111111 0.3520 13 C -0.4227 -3.1175 0.7671 C.3 1 UNL1111111111 -0.0267 14 C -1.8610 -2.6053 0.8608 C.3 1 UNL1111111111 -0.3162 15 C -1.9839 -1.3572 1.7400 C.3 1 UNL1111111111 -0.2691 16 C -3.4133 -0.8018 1.6891 C.3 1 UNL1111111111 -0.2756 17 C 4.6566 -0.5272 0.5892 C.ar 1 UNL1111111111 0.3928 18 C 3.6060 1.8603 -0.4109 C.ar 1 UNL1111111111 -0.4052 19 C -3.4875 0.5623 2.3871 C.3 1 UNL1111111111 -0.2696 20 C -1.4839 -0.6523 -1.9759 C.ar 1 UNL1111111111 -0.2273 21 C -0.9970 1.3145 -0.6379 C.ar 1 UNL1111111111 -0.1343 22 C 5.4626 0.6138 0.5954 C.ar 1 UNL1111111111 -0.4653 23 C 4.9045 1.7929 0.0961 C.ar 1 UNL1111111111 0.3936 24 C -4.8396 1.2350 2.1156 C.3 1 UNL1111111111 -0.2554 25 C -2.8028 -0.2337 -2.0681 C.ar 1 UNL1111111111 0.1336 26 C -2.3214 1.7388 -0.7408 C.ar 1 UNL1111111111 -0.1952 27 C -3.2288 0.9587 -1.4528 C.ar 1 UNL1111111111 0.2047 28 C -4.9272 2.5868 2.8236 C.3 1 UNL1111111111 -0.4372 29 H 0.6317 -0.8631 0.9981 H 1 UNL1111111111 0.1440 30 H 1.2096 -0.7925 -2.0731 H 1 UNL1111111111 0.1557 31 H 2.6246 -2.3107 1.0993 H 1 UNL1111111111 0.1426 32 H 2.7219 -2.4324 -0.6670 H 1 UNL1111111111 0.1638 33 H -0.3932 -4.1763 0.4409 H 1 UNL1111111111 0.1341 34 H 0.1264 -3.0220 1.7166 H 1 UNL1111111111 0.1195 35 H -2.2256 -2.3775 -0.1630 H 1 UNL1111111111 0.1593 36 H -2.5207 -3.4048 1.2459 H 1 UNL1111111111 0.1422 37 H -1.7000 -1.5851 2.7826 H 1 UNL1111111111 0.1323 38 H -1.2780 -0.5785 1.3868 H 1 UNL1111111111 0.1446 39 H -4.1201 -1.5105 2.1549 H 1 UNL1111111111 0.1328 40 H -3.7375 -0.6977 0.6347 H 1 UNL1111111111 0.1438 41 H 3.2035 2.7873 -0.8061 H 1 UNL1111111111 0.2001 42 H -3.3280 0.4446 3.4733 H 1 UNL1111111111 0.1320 43 H -2.6705 1.2170 2.0264 H 1 UNL1111111111 0.1403 44 H -1.1541 -1.5787 -2.4405 H 1 UNL1111111111 0.1708 45 H -0.2812 1.9205 -0.0775 H 1 UNL1111111111 0.1756 46 H 6.4742 0.5645 0.9752 H 1 UNL1111111111 0.1864 47 H -5.6653 0.5782 2.4445 H 1 UNL1111111111 0.1304 48 H -4.9766 1.3729 1.0229 H 1 UNL1111111111 0.1492 49 H -2.6575 2.6615 -0.2712 H 1 UNL1111111111 0.1782 50 H 4.6657 -2.4349 1.0377 H 1 UNL1111111111 0.3295 51 H -4.1348 3.2649 2.4875 H 1 UNL1111111111 0.1419 52 H -5.8859 3.0771 2.6218 H 1 UNL1111111111 0.1394 53 H -4.8329 2.4785 3.9092 H 1 UNL1111111111 0.1377 54 H 6.5143 2.8527 0.4299 H 1 UNL1111111111 0.3307 55 H -3.4268 -1.7745 -3.0976 H 1 UNL1111111111 0.3383 56 H -5.0719 0.7818 -2.0530 H 1 UNL1111111111 0.3410 @BOND 1 1 7 1 2 1 13 1 3 2 8 1 4 2 12 1 5 3 17 1 6 3 50 1 7 4 23 1 8 4 54 1 9 5 25 1 10 5 55 1 11 6 27 1 12 6 56 1 13 7 8 1 14 7 9 1 15 7 29 1 16 8 11 1 17 8 30 1 18 9 10 1 19 9 31 1 20 9 32 1 21 10 12 ar 22 10 17 ar 23 11 20 ar 24 11 21 ar 25 12 18 ar 26 13 14 1 27 13 33 1 28 13 34 1 29 14 15 1 30 14 35 1 31 14 36 1 32 15 16 1 33 15 37 1 34 15 38 1 35 16 19 1 36 16 39 1 37 16 40 1 38 17 22 ar 39 18 23 ar 40 18 41 1 41 19 24 1 42 19 42 1 43 19 43 1 44 20 25 ar 45 20 44 1 46 21 26 ar 47 21 45 1 48 22 23 ar 49 22 46 1 50 24 28 1 51 24 47 1 52 24 48 1 53 25 27 ar 54 26 27 ar 55 26 49 1 56 28 51 1 57 28 52 1 58 28 53 1