@MOLECULE 6-[(2s,3r)-4-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.3210 3.6469 -0.0189 O.3 1 UNL1111111111 -0.4028 2 O 3.7321 -2.2986 -0.2649 O.3 1 UNL1111111111 -0.4698 3 O -4.0790 1.3281 -1.6302 O.3 1 UNL1111111111 -0.3361 4 O -3.3136 2.9035 -0.0484 O.3 1 UNL1111111111 -0.3383 5 O -1.1943 -0.5792 2.5734 O.3 1 UNL1111111111 -0.4657 6 C 0.0584 -2.1230 -0.7333 C.3 1 UNL1111111111 -0.0765 7 C -1.1343 -3.0495 -0.3976 C.3 1 UNL1111111111 -0.0806 8 C 1.0670 -2.0165 0.4286 C.3 1 UNL1111111111 -0.2839 9 C -1.9875 -2.4952 0.7688 C.3 1 UNL1111111111 -0.2790 10 C 0.7649 -2.5908 -2.0109 C.3 1 UNL1111111111 -0.4537 11 C -0.6940 -4.4748 -0.0470 C.3 1 UNL1111111111 -0.4549 12 C 1.9687 -0.8425 0.2321 C.ar 1 UNL1111111111 -0.0632 13 C -2.3378 -1.0546 0.5896 C.ar 1 UNL1111111111 -0.0774 14 C 1.4789 0.4594 0.3924 C.ar 1 UNL1111111111 -0.1243 15 C 2.3307 1.5280 0.1902 C.ar 1 UNL1111111111 -0.1100 16 C 3.3136 -1.0104 -0.1267 C.ar 1 UNL1111111111 0.2530 17 C 3.6747 1.3311 -0.1708 C.ar 1 UNL1111111111 0.0017 18 C 4.1930 0.0625 -0.3350 C.ar 1 UNL1111111111 -0.3021 19 C 2.0753 2.9970 0.2852 C.3 1 UNL1111111111 -0.0317 20 C -3.0998 -0.6454 -0.5207 C.ar 1 UNL1111111111 -0.1499 21 C -1.9083 -0.0978 1.5194 C.ar 1 UNL1111111111 0.2510 22 C 4.3276 2.6677 -0.3178 C.3 1 UNL1111111111 -0.0482 23 C -3.3650 0.6979 -0.6353 C.ar 1 UNL1111111111 0.0651 24 C -2.1716 1.2828 1.4096 C.ar 1 UNL1111111111 -0.3309 25 C -2.9097 1.6454 0.3089 C.ar 1 UNL1111111111 0.1839 26 C -4.0496 2.7285 -1.2843 C.3 1 UNL1111111111 0.1568 27 H -0.3570 -1.1004 -0.9280 H 1 UNL1111111111 0.1409 28 H -1.7811 -3.0948 -1.3088 H 1 UNL1111111111 0.1300 29 H 0.5218 -1.9123 1.3931 H 1 UNL1111111111 0.1643 30 H 1.6442 -2.9590 0.5166 H 1 UNL1111111111 0.1609 31 H -2.9150 -3.0981 0.8605 H 1 UNL1111111111 0.1472 32 H -1.4501 -2.6572 1.7287 H 1 UNL1111111111 0.1675 33 H 0.0707 -2.6582 -2.8530 H 1 UNL1111111111 0.1379 34 H 1.5623 -1.8905 -2.2893 H 1 UNL1111111111 0.1494 35 H 1.2376 -3.5699 -1.8793 H 1 UNL1111111111 0.1454 36 H -0.0599 -4.4948 0.8462 H 1 UNL1111111111 0.1470 37 H -1.5553 -5.1229 0.1436 H 1 UNL1111111111 0.1375 38 H -0.1184 -4.9251 -0.8634 H 1 UNL1111111111 0.1463 39 H 0.4362 0.6156 0.6680 H 1 UNL1111111111 0.1667 40 H 5.2265 -0.1014 -0.6121 H 1 UNL1111111111 0.1636 41 H 1.3488 3.3707 -0.4576 H 1 UNL1111111111 0.1429 42 H 1.7970 3.3394 1.2963 H 1 UNL1111111111 0.1389 43 H -3.4541 -1.3656 -1.2534 H 1 UNL1111111111 0.1777 44 H 5.1459 2.8456 0.4012 H 1 UNL1111111111 0.1436 45 H 4.6689 2.8852 -1.3450 H 1 UNL1111111111 0.1445 46 H -1.8255 1.9997 2.1420 H 1 UNL1111111111 0.1827 47 H 4.6889 -2.3522 -0.4968 H 1 UNL1111111111 0.3230 48 H -3.5017 3.2608 -2.0743 H 1 UNL1111111111 0.1419 49 H -5.0828 3.0544 -1.1052 H 1 UNL1111111111 0.1391 50 H -0.9111 0.1410 3.1880 H 1 UNL1111111111 0.3286 @BOND 1 1 19 1 2 1 22 1 3 2 16 1 4 2 47 1 5 3 23 1 6 3 26 1 7 4 25 1 8 4 26 1 9 5 21 1 10 5 50 1 11 6 7 1 12 6 8 1 13 6 10 1 14 6 27 1 15 7 9 1 16 7 11 1 17 7 28 1 18 8 12 1 19 8 29 1 20 8 30 1 21 9 13 1 22 9 31 1 23 9 32 1 24 10 33 1 25 10 34 1 26 10 35 1 27 11 36 1 28 11 37 1 29 11 38 1 30 12 14 ar 31 12 16 ar 32 13 20 ar 33 13 21 ar 34 14 15 ar 35 14 39 1 36 15 17 ar 37 15 19 1 38 16 18 ar 39 17 18 ar 40 17 22 1 41 18 40 1 42 19 41 1 43 19 42 1 44 20 23 ar 45 20 43 1 46 21 24 ar 47 22 44 1 48 22 45 1 49 23 25 ar 50 24 25 ar 51 24 46 1 52 26 48 1 53 26 49 1