@MOLECULE (2r)-2-methyl-2-[(3e,7e)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1068 -2.4634 1.0535 O.3 1 UNL1111111111 -0.3702 2 O 5.3768 0.8470 0.3211 O.3 1 UNL1111111111 -0.4764 3 C 0.2221 -2.8463 -0.0127 C.3 1 UNL1111111111 0.3011 4 C 1.0134 -3.1025 -1.3033 C.3 1 UNL1111111111 -0.3329 5 C -0.8255 -1.7270 -0.1387 C.3 1 UNL1111111111 -0.3182 6 C 1.8012 -1.8575 -1.7203 C.3 1 UNL1111111111 -0.2596 7 C -0.3662 -4.1532 0.5320 C.3 1 UNL1111111111 -0.4845 8 C 2.5369 -1.3049 -0.5451 C.ar 1 UNL1111111111 -0.0514 9 C -1.9114 -2.0629 -1.1659 C.3 1 UNL1111111111 -0.2591 10 C 2.1426 -1.6378 0.7539 C.ar 1 UNL1111111111 0.1781 11 C -2.9397 -0.9805 -1.2219 C.2 1 UNL1111111111 -0.2235 12 C 3.6315 -0.4571 -0.7191 C.ar 1 UNL1111111111 -0.2800 13 C 2.8294 -1.1666 1.8840 C.ar 1 UNL1111111111 -0.1743 14 C -4.0752 -0.9572 -0.5141 C.2 1 UNL1111111111 0.0438 15 C 4.2972 0.0178 0.4077 C.ar 1 UNL1111111111 0.2372 16 C 3.9181 -0.3273 1.7112 C.ar 1 UNL1111111111 -0.1936 17 C -5.0888 0.1293 -0.7395 C.3 1 UNL1111111111 -0.2897 18 C -4.9084 1.2809 0.2637 C.3 1 UNL1111111111 -0.2541 19 C -4.4468 -1.9685 0.5185 C.3 1 UNL1111111111 -0.4554 20 C -3.6528 2.0458 -0.0021 C.2 1 UNL1111111111 -0.2225 21 C -2.6950 2.2862 0.9029 C.2 1 UNL1111111111 0.0316 22 C -1.4991 3.1247 0.5561 C.3 1 UNL1111111111 -0.2818 23 C -0.2042 2.2960 0.6275 C.3 1 UNL1111111111 -0.2512 24 C -2.7320 1.7608 2.3003 C.3 1 UNL1111111111 -0.4508 25 C 0.9737 3.1645 0.3309 C.2 1 UNL1111111111 -0.2212 26 C 1.5539 3.2952 -0.8686 C.2 1 UNL1111111111 0.0496 27 C 2.7714 4.1470 -1.0497 C.3 1 UNL1111111111 -0.4580 28 C 1.0844 2.6210 -2.1152 C.3 1 UNL1111111111 -0.4502 29 H 1.7145 -3.9430 -1.1384 H 1 UNL1111111111 0.1547 30 H 0.3355 -3.4250 -2.1131 H 1 UNL1111111111 0.1488 31 H -0.3285 -0.7755 -0.4114 H 1 UNL1111111111 0.1568 32 H -1.2799 -1.5358 0.8539 H 1 UNL1111111111 0.1583 33 H 2.5029 -2.1143 -2.5412 H 1 UNL1111111111 0.1488 34 H 1.1204 -1.0851 -2.1388 H 1 UNL1111111111 0.1573 35 H -1.0515 -3.9632 1.3655 H 1 UNL1111111111 0.1598 36 H -0.9071 -4.7047 -0.2408 H 1 UNL1111111111 0.1516 37 H 0.4300 -4.8046 0.9180 H 1 UNL1111111111 0.1636 38 H -2.3726 -3.0426 -0.9305 H 1 UNL1111111111 0.1412 39 H -1.4624 -2.1947 -2.1724 H 1 UNL1111111111 0.1381 40 H -2.6985 -0.1720 -1.9101 H 1 UNL1111111111 0.1478 41 H 3.9550 -0.1781 -1.7150 H 1 UNL1111111111 0.1567 42 H 2.4943 -1.4690 2.8731 H 1 UNL1111111111 0.1705 43 H 4.4755 0.0656 2.5578 H 1 UNL1111111111 0.1738 44 H -5.0195 0.5214 -1.7742 H 1 UNL1111111111 0.1451 45 H -6.1139 -0.2816 -0.6545 H 1 UNL1111111111 0.1397 46 H -4.9377 0.8764 1.2952 H 1 UNL1111111111 0.1427 47 H -5.7742 1.9723 0.1897 H 1 UNL1111111111 0.1396 48 H -4.7652 -1.4842 1.4530 H 1 UNL1111111111 0.1542 49 H -5.2778 -2.6011 0.1774 H 1 UNL1111111111 0.1516 50 H -3.6130 -2.6344 0.7781 H 1 UNL1111111111 0.1553 51 H -3.5711 2.4215 -1.0201 H 1 UNL1111111111 0.1439 52 H 5.5734 1.0938 -0.6119 H 1 UNL1111111111 0.3199 53 H -1.5895 3.5707 -0.4545 H 1 UNL1111111111 0.1445 54 H -1.4342 3.9892 1.2477 H 1 UNL1111111111 0.1476 55 H -0.2727 1.4372 -0.0706 H 1 UNL1111111111 0.1438 56 H -0.0940 1.8373 1.6317 H 1 UNL1111111111 0.1467 57 H -2.0849 2.3272 2.9835 H 1 UNL1111111111 0.1532 58 H -3.7415 1.7898 2.7288 H 1 UNL1111111111 0.1476 59 H -2.3914 0.7136 2.3243 H 1 UNL1111111111 0.1608 60 H 1.3550 3.7042 1.1968 H 1 UNL1111111111 0.1439 61 H 3.1136 4.5997 -0.1099 H 1 UNL1111111111 0.1518 62 H 2.5848 4.9677 -1.7549 H 1 UNL1111111111 0.1504 63 H 3.6088 3.5560 -1.4444 H 1 UNL1111111111 0.1503 64 H 1.8340 1.9052 -2.4797 H 1 UNL1111111111 0.1503 65 H 0.1467 2.0662 -1.9734 H 1 UNL1111111111 0.1571 66 H 0.9060 3.3506 -2.9171 H 1 UNL1111111111 0.1491 @BOND 1 1 3 1 2 1 10 1 3 2 15 1 4 2 52 1 5 3 4 1 6 3 5 1 7 3 7 1 8 4 6 1 9 4 29 1 10 4 30 1 11 5 9 1 12 5 31 1 13 5 32 1 14 6 8 1 15 6 33 1 16 6 34 1 17 7 35 1 18 7 36 1 19 7 37 1 20 8 10 ar 21 8 12 ar 22 9 11 1 23 9 38 1 24 9 39 1 25 10 13 ar 26 11 14 2 27 11 40 1 28 12 15 ar 29 12 41 1 30 13 16 ar 31 13 42 1 32 14 17 1 33 14 19 1 34 15 16 ar 35 16 43 1 36 17 18 1 37 17 44 1 38 17 45 1 39 18 20 1 40 18 46 1 41 18 47 1 42 19 48 1 43 19 49 1 44 19 50 1 45 20 21 2 46 20 51 1 47 21 22 1 48 21 24 1 49 22 23 1 50 22 53 1 51 22 54 1 52 23 25 1 53 23 55 1 54 23 56 1 55 24 57 1 56 24 58 1 57 24 59 1 58 25 26 2 59 25 60 1 60 26 27 1 61 26 28 1 62 27 61 1 63 27 62 1 64 27 63 1 65 28 64 1 66 28 65 1 67 28 66 1