@MOLECULE 3-allyl-8-hydroxy-1,5-dimethoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]oct-3-en-2-one 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1474 0.1492 1.8131 O.3 1 UNL1111111111 -0.3118 2 O 2.3059 -2.4727 -1.5995 O.3 1 UNL1111111111 -0.3612 3 O 0.9792 -2.4276 0.9623 O.3 1 UNL1111111111 -0.5162 4 O 2.1610 2.0519 1.4208 O.2 1 UNL1111111111 -0.3987 5 O -4.0473 -1.9546 0.9643 O.3 1 UNL1111111111 -0.3394 6 O -5.4057 -0.1299 0.3264 O.3 1 UNL1111111111 -0.3073 7 O -4.3817 2.2468 -0.8463 O.3 1 UNL1111111111 -0.2708 8 C 1.0118 0.0456 0.7344 C.3 1 UNL1111111111 0.0793 9 C 2.0138 -1.2651 -0.9610 C.3 1 UNL1111111111 0.1561 10 C 0.1447 0.2659 -0.5509 C.3 1 UNL1111111111 -0.1605 11 C 0.6590 -0.7893 -1.5677 C.3 1 UNL1111111111 -0.1005 12 C 1.7296 -1.3294 0.5749 C.3 1 UNL1111111111 0.0521 13 C 2.1324 1.1002 0.6883 C.2 1 UNL1111111111 0.3884 14 C 3.1058 -0.2434 -1.1390 C.2 1 UNL1111111111 -0.1628 15 C -1.3338 0.1752 -0.3117 C.ar 1 UNL1111111111 0.1017 16 C 0.8038 -0.2249 -2.9716 C.3 1 UNL1111111111 -0.4480 17 C 3.1616 0.8518 -0.3660 C.2 1 UNL1111111111 -0.1366 18 C 4.2508 1.8685 -0.4704 C.3 1 UNL1111111111 -0.2825 19 C -1.9052 -0.9695 0.2663 C.ar 1 UNL1111111111 -0.2636 20 C -2.1220 1.2633 -0.6979 C.ar 1 UNL1111111111 -0.3184 21 C 0.7366 -0.0909 3.0834 C.3 1 UNL1111111111 -0.2147 22 C 3.2468 -3.2920 -0.9249 C.3 1 UNL1111111111 -0.2019 23 C -3.2741 -0.9591 0.4282 C.ar 1 UNL1111111111 0.2043 24 C -3.5157 1.2586 -0.5181 C.ar 1 UNL1111111111 0.2245 25 C -4.0821 0.1252 0.0468 C.ar 1 UNL1111111111 -0.0112 26 C 5.4664 1.3758 0.2588 C.2 1 UNL1111111111 -0.1087 27 C -5.4046 -1.4497 0.9131 C.3 1 UNL1111111111 0.1511 28 C 6.0121 2.0298 1.2828 C.2 1 UNL1111111111 -0.3204 29 C -3.8114 3.4458 -1.3593 C.3 1 UNL1111111111 -0.2116 30 H 0.3741 1.2892 -0.9489 H 1 UNL1111111111 0.1661 31 H -0.0288 -1.6699 -1.6022 H 1 UNL1111111111 0.1665 32 H 2.6461 -1.4317 1.1903 H 1 UNL1111111111 0.1545 33 H 3.8305 -0.4625 -1.9193 H 1 UNL1111111111 0.1700 34 H 1.4588 0.6529 -3.0060 H 1 UNL1111111111 0.1464 35 H -0.1709 0.0686 -3.3822 H 1 UNL1111111111 0.1552 36 H 1.2332 -0.9764 -3.6487 H 1 UNL1111111111 0.1577 37 H 0.0468 -2.3667 0.6294 H 1 UNL1111111111 0.3266 38 H 4.5080 2.0747 -1.5321 H 1 UNL1111111111 0.1556 39 H 3.9098 2.8487 -0.0617 H 1 UNL1111111111 0.1757 40 H -1.3115 -1.8121 0.6055 H 1 UNL1111111111 0.1671 41 H -1.6469 2.1375 -1.1344 H 1 UNL1111111111 0.1711 42 H -0.1094 0.0821 3.7620 H 1 UNL1111111111 0.1519 43 H 1.5385 0.6229 3.2921 H 1 UNL1111111111 0.1374 44 H 1.0838 -1.1261 3.1609 H 1 UNL1111111111 0.1364 45 H 3.4210 -4.0996 -1.6465 H 1 UNL1111111111 0.1424 46 H 2.8045 -3.6945 -0.0047 H 1 UNL1111111111 0.1487 47 H 4.1753 -2.7557 -0.7176 H 1 UNL1111111111 0.1196 48 H 5.8704 0.4351 -0.1120 H 1 UNL1111111111 0.1383 49 H -5.9798 -2.1139 0.2539 H 1 UNL1111111111 0.1390 50 H -5.7634 -1.3603 1.9476 H 1 UNL1111111111 0.1410 51 H 6.8862 1.6853 1.8121 H 1 UNL1111111111 0.1421 52 H 5.6261 2.9572 1.6789 H 1 UNL1111111111 0.1511 53 H -4.7011 4.0739 -1.5058 H 1 UNL1111111111 0.1539 54 H -3.3100 3.2635 -2.3142 H 1 UNL1111111111 0.1341 55 H -3.1366 3.9048 -0.6296 H 1 UNL1111111111 0.1409 @BOND 1 1 8 1 2 1 21 1 3 2 9 1 4 2 22 1 5 3 12 1 6 3 37 1 7 4 13 2 8 5 23 1 9 5 27 1 10 6 25 1 11 6 27 1 12 7 24 1 13 7 29 1 14 8 10 1 15 8 12 1 16 8 13 1 17 9 11 1 18 9 12 1 19 9 14 1 20 10 11 1 21 10 15 1 22 10 30 1 23 11 16 1 24 11 31 1 25 12 32 1 26 13 17 1 27 14 17 2 28 14 33 1 29 15 19 ar 30 15 20 ar 31 16 34 1 32 16 35 1 33 16 36 1 34 17 18 1 35 18 26 1 36 18 38 1 37 18 39 1 38 19 23 ar 39 19 40 1 40 20 24 ar 41 20 41 1 42 21 42 1 43 21 43 1 44 21 44 1 45 22 45 1 46 22 46 1 47 22 47 1 48 23 25 ar 49 24 25 ar 50 26 28 2 51 26 48 1 52 27 49 1 53 27 50 1 54 28 51 1 55 28 52 1 56 29 53 1 57 29 54 1 58 29 55 1