@MOLECULE 2-[12-isopropenyl-1-methyl-6-(3-methyl-2-buten-1-yl)-7-methylenebicyclo[8.2.0]dodec-4-yl]acrylic acid 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1879 4.2428 0.2283 O.3 1 UNL1111111111111 -0.5531 2 O 1.1429 3.0232 1.8258 O.2 1 UNL1111111111111 -0.5024 3 C -2.4055 -0.2914 -0.3911 C.3 1 UNL1111111111111 0.0762 4 C -1.9966 -1.2338 0.8144 C.3 1 UNL1111111111111 -0.1294 5 C -3.6778 -1.2095 -0.6211 C.3 1 UNL1111111111111 -0.1816 6 C -3.3894 -1.9230 0.7241 C.3 1 UNL1111111111111 -0.3067 7 C -1.5128 -0.2373 -1.6283 C.3 1 UNL1111111111111 -0.2967 8 C -0.8393 -2.2067 0.6198 C.3 1 UNL1111111111111 -0.2747 9 C -2.7935 1.0930 0.1101 C.3 1 UNL1111111111111 -0.4607 10 C -4.9821 -0.5199 -0.8290 C.2 1 UNL1111111111111 0.0863 11 C -0.4731 0.8922 -1.6770 C.3 1 UNL1111111111111 -0.2667 12 C 0.1812 -2.1777 1.7708 C.3 1 UNL1111111111111 -0.2896 13 C 0.4742 0.9443 -0.4638 C.3 1 UNL1111111111111 -0.1126 14 C 1.4859 -0.2124 -0.4469 C.3 1 UNL1111111111111 -0.2824 15 C 1.9898 -0.4794 0.9846 C.3 1 UNL1111111111111 -0.1174 16 C 0.8640 -0.8498 1.9192 C.2 1 UNL1111111111111 0.0379 17 C -6.0561 -0.7398 0.1846 C.3 1 UNL1111111111111 -0.4595 18 C -5.1893 0.2435 -1.9076 C.2 1 UNL1111111111111 -0.4070 19 C 1.2000 2.2624 -0.4763 C.2 1 UNL1111111111111 -0.0706 20 C 3.0813 -1.5718 0.9695 C.3 1 UNL1111111111111 -0.2771 21 C 0.4882 -0.0021 2.8824 C.2 1 UNL1111111111111 -0.3805 22 C 0.8787 3.1533 0.6598 C.2 1 UNL1111111111111 0.6314 23 C 2.0791 2.6510 -1.3997 C.2 1 UNL1111111111111 -0.2647 24 C 4.3098 -1.0534 0.2963 C.2 1 UNL1111111111111 -0.2227 25 C 4.7481 -1.4449 -0.9069 C.2 1 UNL1111111111111 0.0422 26 C 4.0659 -2.4811 -1.7391 C.3 1 UNL1111111111111 -0.4555 27 C 5.9846 -0.8581 -1.5079 C.3 1 UNL1111111111111 -0.4572 28 H -1.8612 -0.6539 1.7438 H 1 UNL1111111111111 0.1511 29 H -3.5086 -1.9071 -1.4692 H 1 UNL1111111111111 0.1478 30 H -4.0576 -1.6469 1.5435 H 1 UNL1111111111111 0.1426 31 H -3.3752 -3.0122 0.6643 H 1 UNL1111111111111 0.1370 32 H -2.1695 -0.1244 -2.5189 H 1 UNL1111111111111 0.1430 33 H -1.0067 -1.2128 -1.7713 H 1 UNL1111111111111 0.1401 34 H -1.2233 -3.2411 0.5197 H 1 UNL1111111111111 0.1351 35 H -0.3149 -2.0090 -0.3371 H 1 UNL1111111111111 0.1490 36 H -3.5592 1.0371 0.8943 H 1 UNL1111111111111 0.1494 37 H -3.2087 1.7059 -0.7002 H 1 UNL1111111111111 0.1561 38 H -1.9394 1.6337 0.5320 H 1 UNL1111111111111 0.1497 39 H 0.1204 0.7944 -2.6064 H 1 UNL1111111111111 0.1362 40 H -1.0002 1.8657 -1.7613 H 1 UNL1111111111111 0.1508 41 H -0.3324 -2.4523 2.7160 H 1 UNL1111111111111 0.1462 42 H 0.9315 -2.9780 1.6096 H 1 UNL1111111111111 0.1414 43 H -0.1558 0.8594 0.4654 H 1 UNL1111111111111 0.1761 44 H 2.3493 0.0101 -1.1030 H 1 UNL1111111111111 0.1486 45 H 1.0300 -1.1279 -0.8671 H 1 UNL1111111111111 0.1440 46 H 2.4626 0.4709 1.3566 H 1 UNL1111111111111 0.1594 47 H -6.2068 -1.8099 0.3848 H 1 UNL1111111111111 0.1567 48 H -5.8028 -0.2552 1.1389 H 1 UNL1111111111111 0.1586 49 H -7.0241 -0.3318 -0.1355 H 1 UNL1111111111111 0.1530 50 H -4.4441 0.4222 -2.6636 H 1 UNL1111111111111 0.1466 51 H -6.1155 0.7507 -2.1131 H 1 UNL1111111111111 0.1467 52 H 3.3215 -1.8670 2.0126 H 1 UNL1111111111111 0.1488 53 H 2.6991 -2.4885 0.4832 H 1 UNL1111111111111 0.1411 54 H 0.9418 0.9668 3.0404 H 1 UNL1111111111111 0.1680 55 H -0.3009 -0.2019 3.5867 H 1 UNL1111111111111 0.1437 56 H 2.3723 2.0325 -2.2368 H 1 UNL1111111111111 0.1560 57 H 2.5738 3.6119 -1.3935 H 1 UNL1111111111111 0.1550 58 H 4.8414 -0.2938 0.8684 H 1 UNL1111111111111 0.1491 59 H -0.0629 4.8640 0.9561 H 1 UNL1111111111111 0.3493 60 H 6.4583 -0.1091 -0.8599 H 1 UNL1111111111111 0.1520 61 H 5.7642 -0.3642 -2.4639 H 1 UNL1111111111111 0.1523 62 H 6.7362 -1.6354 -1.7045 H 1 UNL1111111111111 0.1540 63 H 3.0002 -2.2500 -1.8791 H 1 UNL1111111111111 0.1559 64 H 4.1265 -3.4708 -1.2628 H 1 UNL1111111111111 0.1564 65 H 4.5073 -2.5798 -2.7384 H 1 UNL1111111111111 0.1477 @BOND 1 1 22 1 2 1 59 1 3 2 22 2 4 3 4 1 5 3 5 1 6 3 7 1 7 3 9 1 8 4 6 1 9 4 8 1 10 4 28 1 11 5 6 1 12 5 10 1 13 5 29 1 14 6 30 1 15 6 31 1 16 7 11 1 17 7 32 1 18 7 33 1 19 8 12 1 20 8 34 1 21 8 35 1 22 9 36 1 23 9 37 1 24 9 38 1 25 10 17 1 26 10 18 2 27 11 13 1 28 11 39 1 29 11 40 1 30 12 16 1 31 12 41 1 32 12 42 1 33 13 14 1 34 13 19 1 35 13 43 1 36 14 15 1 37 14 44 1 38 14 45 1 39 15 16 1 40 15 20 1 41 15 46 1 42 16 21 2 43 17 47 1 44 17 48 1 45 17 49 1 46 18 50 1 47 18 51 1 48 19 22 1 49 19 23 2 50 20 24 1 51 20 52 1 52 20 53 1 53 21 54 1 54 21 55 1 55 23 56 1 56 23 57 1 57 24 25 2 58 24 58 1 59 25 26 1 60 25 27 1 61 26 63 1 62 26 64 1 63 26 65 1 64 27 60 1 65 27 61 1 66 27 62 1