@MOLECULE 2-[(2e)-5-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2-penten-1-yl]-1,4-benzenediol 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3199 -0.9019 1.8380 O.3 1 UNL1111111111 -0.4606 2 O 6.1573 1.8017 -0.9593 O.3 1 UNL1111111111 -0.4755 3 C -4.2604 0.0836 0.8360 C.3 1 UNL1111111111 0.1068 4 C -3.3755 -0.3696 -0.3608 C.3 1 UNL1111111111 -0.1570 5 C -3.7668 1.4235 1.4204 C.3 1 UNL1111111111 -0.2922 6 C -3.6719 2.5184 0.3544 C.3 1 UNL1111111111 -0.2571 7 C -3.2543 0.7562 -1.3559 C.2 1 UNL1111111111 0.0760 8 C -1.9721 -0.8425 0.0653 C.3 1 UNL1111111111 -0.2640 9 C -2.7774 2.0668 -0.8075 C.3 1 UNL1111111111 -0.2922 10 C -4.2506 -0.9694 1.9605 C.3 1 UNL1111111111 -0.4712 11 C -5.7083 0.2263 0.3315 C.3 1 UNL1111111111 -0.4696 12 C -1.1638 -1.3357 -1.1451 C.3 1 UNL1111111111 -0.2956 13 C -3.5367 0.5869 -2.6501 C.2 1 UNL1111111111 -0.4136 14 C 0.1842 -1.8379 -0.7192 C.2 1 UNL1111111111 0.0434 15 C 0.1705 -3.0335 0.1748 C.3 1 UNL1111111111 -0.4493 16 C 1.2997 -1.2238 -1.1357 C.2 1 UNL1111111111 -0.2131 17 C 2.6833 -1.6832 -0.7986 C.3 1 UNL1111111111 -0.2649 18 C 3.4687 -0.5720 -0.1827 C.ar 1 UNL1111111111 0.0128 19 C 3.2638 -0.1913 1.1534 C.ar 1 UNL1111111111 0.1895 20 C 4.4401 0.1003 -0.9189 C.ar 1 UNL1111111111 -0.2787 21 C 5.1758 1.1174 -0.3042 C.ar 1 UNL1111111111 0.2381 22 C 3.9901 0.8349 1.7585 C.ar 1 UNL1111111111 -0.2273 23 C 4.9625 1.5032 1.0213 C.ar 1 UNL1111111111 -0.1947 24 H -3.8903 -1.2402 -0.8414 H 1 UNL1111111111 0.1435 25 H -2.7743 1.2782 1.8945 H 1 UNL1111111111 0.1401 26 H -4.4463 1.7453 2.2309 H 1 UNL1111111111 0.1351 27 H -4.6756 2.7763 -0.0266 H 1 UNL1111111111 0.1387 28 H -3.2727 3.4488 0.7999 H 1 UNL1111111111 0.1316 29 H -2.0626 -1.6604 0.8046 H 1 UNL1111111111 0.1420 30 H -1.4247 -0.0294 0.5758 H 1 UNL1111111111 0.1458 31 H -2.7538 2.8513 -1.5884 H 1 UNL1111111111 0.1425 32 H -1.7290 1.9599 -0.4583 H 1 UNL1111111111 0.1556 33 H -4.4924 -1.9639 1.5765 H 1 UNL1111111111 0.1460 34 H -4.9843 -0.7269 2.7366 H 1 UNL1111111111 0.1455 35 H -3.2743 -1.0285 2.4509 H 1 UNL1111111111 0.1454 36 H -6.1145 -0.7365 0.0041 H 1 UNL1111111111 0.1433 37 H -5.7639 0.9104 -0.5283 H 1 UNL1111111111 0.1538 38 H -6.3677 0.6187 1.1072 H 1 UNL1111111111 0.1427 39 H -1.7151 -2.1396 -1.6726 H 1 UNL1111111111 0.1471 40 H -1.0687 -0.5167 -1.8882 H 1 UNL1111111111 0.1537 41 H -3.4571 1.3684 -3.3885 H 1 UNL1111111111 0.1477 42 H -3.8711 -0.3443 -3.0741 H 1 UNL1111111111 0.1468 43 H 1.0249 -3.7005 -0.0012 H 1 UNL1111111111 0.1493 44 H -0.7335 -3.6362 0.0526 H 1 UNL1111111111 0.1482 45 H 0.2245 -2.7178 1.2310 H 1 UNL1111111111 0.1639 46 H 1.2629 -0.3358 -1.7668 H 1 UNL1111111111 0.1501 47 H 3.1788 -2.0574 -1.7216 H 1 UNL1111111111 0.1499 48 H 2.6628 -2.5502 -0.1005 H 1 UNL1111111111 0.1651 49 H 4.6224 -0.1642 -1.9565 H 1 UNL1111111111 0.1641 50 H 3.8015 1.1080 2.7917 H 1 UNL1111111111 0.1585 51 H 5.5616 2.2978 1.4580 H 1 UNL1111111111 0.1742 52 H 2.2022 -0.5519 2.7533 H 1 UNL1111111111 0.3163 53 H 6.2792 1.4811 -1.8821 H 1 UNL1111111111 0.3237 @BOND 1 1 19 1 2 1 52 1 3 2 21 1 4 2 53 1 5 3 4 1 6 3 5 1 7 3 10 1 8 3 11 1 9 4 7 1 10 4 8 1 11 4 24 1 12 5 6 1 13 5 25 1 14 5 26 1 15 6 9 1 16 6 27 1 17 6 28 1 18 7 9 1 19 7 13 2 20 8 12 1 21 8 29 1 22 8 30 1 23 9 31 1 24 9 32 1 25 10 33 1 26 10 34 1 27 10 35 1 28 11 36 1 29 11 37 1 30 11 38 1 31 12 14 1 32 12 39 1 33 12 40 1 34 13 41 1 35 13 42 1 36 14 15 1 37 14 16 2 38 15 43 1 39 15 44 1 40 15 45 1 41 16 17 1 42 16 46 1 43 17 18 1 44 17 47 1 45 17 48 1 46 18 19 ar 47 18 20 ar 48 19 22 ar 49 20 21 ar 50 20 49 1 51 21 23 ar 52 22 23 ar 53 22 50 1 54 23 51 1