@MOLECULE (9r,10s)-8-allyl-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-2,4-dioxatricyclo[6.2.1.0~1,5~]undec-5-en-7-one 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9158 -1.1462 -1.1220 O.3 1 UNL1111111111 -0.4102 2 O 3.3373 -2.4410 0.7377 O.2 1 UNL1111111111 -0.3363 3 O 0.2670 0.8133 2.3024 O.2 1 UNL1111111111 -0.4299 4 O -2.8843 -2.5923 0.8584 O.3 1 UNL1111111111 -0.3373 5 O -4.6423 -1.0762 0.4231 O.3 1 UNL1111111111 -0.3075 6 O -4.2573 1.4536 -0.8114 O.3 1 UNL1111111111 -0.2705 7 C 1.3388 1.1200 0.1805 C.3 1 UNL1111111111 -0.0420 8 C 2.7376 -0.5932 -0.5750 C.3 1 UNL1111111111 0.1866 9 C 0.5818 0.4525 -1.0205 C.3 1 UNL1111111111 -0.1465 10 C 1.5054 -0.7046 -1.5092 C.3 1 UNL1111111111 -0.1211 11 C 2.8248 0.8895 -0.1990 C.3 1 UNL1111111111 -0.3176 12 C 2.5247 -1.3604 0.7155 C.2 1 UNL1111111111 0.2351 13 C 0.9833 2.5966 0.3280 C.3 1 UNL1111111111 -0.2946 14 C 1.0213 0.3503 1.4860 C.2 1 UNL1111111111 0.4764 15 C -0.8148 0.0424 -0.6547 C.ar 1 UNL1111111111 0.0704 16 C 1.9115 -0.5327 -2.9666 C.3 1 UNL1111111111 -0.4430 17 C 1.7045 -0.9432 1.6856 C.2 1 UNL1111111111 -0.4151 18 C 4.1621 -2.3746 -0.4496 C.3 1 UNL1111111111 0.1675 19 C 1.8814 3.2752 1.3139 C.2 1 UNL1111111111 -0.0959 20 C -1.0731 -1.1955 -0.0446 C.ar 1 UNL1111111111 -0.2781 21 C -1.8431 0.9496 -0.9264 C.ar 1 UNL1111111111 -0.3183 22 C -2.3897 -1.4607 0.2666 C.ar 1 UNL1111111111 0.2149 23 C -3.1780 0.6640 -0.5930 C.ar 1 UNL1111111111 0.2215 24 C -3.4368 -0.5594 0.0061 C.ar 1 UNL1111111111 -0.0096 25 C 2.6577 4.3111 0.9987 C.2 1 UNL1111111111 -0.3515 26 C -4.3093 -2.3650 0.9845 C.3 1 UNL1111111111 0.1480 27 C -3.9915 2.7728 -1.2740 C.3 1 UNL1111111111 -0.2117 28 H 0.5272 1.2105 -1.8435 H 1 UNL1111111111 0.1620 29 H 1.0110 -1.6938 -1.3894 H 1 UNL1111111111 0.1589 30 H 3.5232 1.1022 0.6235 H 1 UNL1111111111 0.1668 31 H 3.1443 1.5225 -1.0413 H 1 UNL1111111111 0.1662 32 H 1.0138 3.1014 -0.6572 H 1 UNL1111111111 0.1434 33 H -0.0742 2.6834 0.6798 H 1 UNL1111111111 0.1817 34 H 2.4175 0.4233 -3.1449 H 1 UNL1111111111 0.1484 35 H 1.0406 -0.5832 -3.6312 H 1 UNL1111111111 0.1516 36 H 2.6121 -1.3199 -3.2763 H 1 UNL1111111111 0.1558 37 H 1.5225 -1.4645 2.6176 H 1 UNL1111111111 0.2023 38 H 5.2106 -2.3691 -0.1189 H 1 UNL1111111111 0.1442 39 H 3.8675 -3.2135 -1.0969 H 1 UNL1111111111 0.1341 40 H 1.8419 2.8617 2.3240 H 1 UNL1111111111 0.1567 41 H -0.2858 -1.9018 0.1968 H 1 UNL1111111111 0.1836 42 H -1.6054 1.8972 -1.3996 H 1 UNL1111111111 0.1665 43 H 3.2987 4.8091 1.7085 H 1 UNL1111111111 0.1444 44 H 2.7153 4.7467 0.0151 H 1 UNL1111111111 0.1404 45 H -4.5471 -2.3387 2.0571 H 1 UNL1111111111 0.1431 46 H -4.8214 -3.1338 0.3908 H 1 UNL1111111111 0.1393 47 H -3.3628 3.3200 -0.5643 H 1 UNL1111111111 0.1399 48 H -3.5516 2.7552 -2.2752 H 1 UNL1111111111 0.1328 49 H -5.0002 3.2077 -1.3062 H 1 UNL1111111111 0.1542 @BOND 1 1 8 1 2 1 18 1 3 2 12 1 4 2 18 1 5 3 14 2 6 4 22 1 7 4 26 1 8 5 24 1 9 5 26 1 10 6 23 1 11 6 27 1 12 7 9 1 13 7 11 1 14 7 13 1 15 7 14 1 16 8 10 1 17 8 11 1 18 8 12 1 19 9 10 1 20 9 15 1 21 9 28 1 22 10 16 1 23 10 29 1 24 11 30 1 25 11 31 1 26 12 17 2 27 13 19 1 28 13 32 1 29 13 33 1 30 14 17 1 31 15 20 ar 32 15 21 ar 33 16 34 1 34 16 35 1 35 16 36 1 36 17 37 1 37 18 38 1 38 18 39 1 39 19 25 2 40 19 40 1 41 20 22 ar 42 20 41 1 43 21 23 ar 44 21 42 1 45 22 24 ar 46 23 24 ar 47 25 43 1 48 25 44 1 49 26 45 1 50 26 46 1 51 27 47 1 52 27 48 1 53 27 49 1