@MOLECULE 2-methyl-2-phytyl-6-chromanol 72 73 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8913 -1.6351 -1.3586 O.3 1 UNL1111111111 -0.3594 2 O 2.8303 3.6569 -0.4407 O.3 1 UNL1111111111 -0.4766 3 C 1.9707 -2.6239 -0.3233 C.3 1 UNL1111111111 0.2993 4 C 0.6689 -2.5907 0.4945 C.3 1 UNL1111111111 -0.3316 5 C -3.1175 -2.5786 -0.4448 C.3 1 UNL1111111111 -0.0754 6 C -0.5692 -2.5805 -0.4089 C.3 1 UNL1111111111 -0.2596 7 C -1.8500 -2.5625 0.4311 C.3 1 UNL1111111111 -0.2907 8 C 3.2126 -2.3853 0.5508 C.3 1 UNL1111111111 -0.3375 9 C -3.2110 -1.3610 -1.3856 C.3 1 UNL1111111111 -0.2820 10 C -3.2346 -0.0208 -0.6437 C.3 1 UNL1111111111 -0.2728 11 C -2.5455 2.4058 -0.8382 C.3 1 UNL1111111111 -0.0744 12 C -3.0182 1.1551 -1.6066 C.3 1 UNL1111111111 -0.2900 13 C 3.2013 -0.9837 1.1678 C.3 1 UNL1111111111 -0.2649 14 C 2.1226 -3.9190 -1.1286 C.3 1 UNL1111111111 -0.4837 15 C -1.0714 2.2480 -0.4167 C.3 1 UNL1111111111 -0.2884 16 C -4.3560 -2.6661 0.4571 C.3 1 UNL1111111111 -0.4559 17 C 2.7912 0.0404 0.1635 C.ar 1 UNL1111111111 -0.0435 18 C 2.1419 -0.3452 -1.0129 C.ar 1 UNL1111111111 0.1748 19 C -0.7692 2.8880 0.9433 C.3 1 UNL1111111111 -0.2689 20 C -2.7177 3.6546 -1.7124 C.3 1 UNL1111111111 -0.4560 21 C -1.3817 2.1107 2.1164 C.3 1 UNL1111111111 -0.2855 22 C -0.6481 0.7889 2.4106 C.3 1 UNL1111111111 -0.0577 23 C 3.0396 1.3963 0.3818 C.ar 1 UNL1111111111 -0.2852 24 C 1.7369 0.5883 -1.9789 C.ar 1 UNL1111111111 -0.1739 25 C 2.6325 2.3153 -0.5824 C.ar 1 UNL1111111111 0.2372 26 C 1.9888 1.9344 -1.7663 C.ar 1 UNL1111111111 -0.1972 27 C -1.5257 -0.1010 3.3020 C.3 1 UNL1111111111 -0.4597 28 C 0.6957 1.0481 3.1011 C.3 1 UNL1111111111 -0.4526 29 H 0.6541 -1.6879 1.1378 H 1 UNL1111111111 0.1548 30 H 0.6402 -3.4555 1.1804 H 1 UNL1111111111 0.1435 31 H -3.0848 -3.4947 -1.0855 H 1 UNL1111111111 0.1234 32 H -0.5696 -3.4577 -1.0802 H 1 UNL1111111111 0.1357 33 H -0.5305 -1.6915 -1.0718 H 1 UNL1111111111 0.1569 34 H -1.8654 -3.4361 1.1093 H 1 UNL1111111111 0.1321 35 H -1.8562 -1.6734 1.0901 H 1 UNL1111111111 0.1448 36 H 4.1220 -2.5032 -0.0721 H 1 UNL1111111111 0.1561 37 H 3.2782 -3.1574 1.3369 H 1 UNL1111111111 0.1477 38 H -2.3569 -1.3835 -2.0906 H 1 UNL1111111111 0.1392 39 H -4.1164 -1.4533 -2.0139 H 1 UNL1111111111 0.1307 40 H -4.1908 0.1027 -0.1050 H 1 UNL1111111111 0.1304 41 H -2.4489 -0.0126 0.1392 H 1 UNL1111111111 0.1500 42 H -3.1812 2.5230 0.0714 H 1 UNL1111111111 0.1305 43 H -2.2750 0.8936 -2.3819 H 1 UNL1111111111 0.1407 44 H -3.9543 1.3710 -2.1505 H 1 UNL1111111111 0.1312 45 H 4.2051 -0.7491 1.5795 H 1 UNL1111111111 0.1516 46 H 2.5119 -0.9486 2.0401 H 1 UNL1111111111 0.1559 47 H 2.0834 -4.7978 -0.4794 H 1 UNL1111111111 0.1527 48 H 3.0701 -3.9372 -1.6801 H 1 UNL1111111111 0.1567 49 H 1.3248 -4.0130 -1.8777 H 1 UNL1111111111 0.1659 50 H -0.4107 2.6910 -1.1868 H 1 UNL1111111111 0.1442 51 H -0.7887 1.1772 -0.3901 H 1 UNL1111111111 0.1471 52 H -4.3600 -3.5921 1.0404 H 1 UNL1111111111 0.1366 53 H -5.2780 -2.6436 -0.1329 H 1 UNL1111111111 0.1412 54 H -4.3974 -1.8302 1.1637 H 1 UNL1111111111 0.1463 55 H -1.1418 3.9293 0.9539 H 1 UNL1111111111 0.1313 56 H 0.3280 2.9639 1.0735 H 1 UNL1111111111 0.1385 57 H -2.1766 3.5599 -2.6596 H 1 UNL1111111111 0.1427 58 H -2.3360 4.5458 -1.2021 H 1 UNL1111111111 0.1427 59 H -3.7708 3.8353 -1.9482 H 1 UNL1111111111 0.1355 60 H -1.3814 2.7451 3.0215 H 1 UNL1111111111 0.1317 61 H -2.4475 1.9014 1.9015 H 1 UNL1111111111 0.1378 62 H -0.4589 0.2581 1.4450 H 1 UNL1111111111 0.1353 63 H 3.5467 1.7221 1.2830 H 1 UNL1111111111 0.1579 64 H 1.2357 0.2417 -2.8806 H 1 UNL1111111111 0.1717 65 H 1.7011 2.6911 -2.4928 H 1 UNL1111111111 0.1750 66 H -2.4888 -0.3165 2.8272 H 1 UNL1111111111 0.1408 67 H -1.0384 -1.0582 3.5118 H 1 UNL1111111111 0.1393 68 H -1.7334 0.3809 4.2629 H 1 UNL1111111111 0.1439 69 H 1.1748 0.1122 3.4034 H 1 UNL1111111111 0.1336 70 H 1.3848 1.5754 2.4310 H 1 UNL1111111111 0.1455 71 H 0.5730 1.6605 3.9998 H 1 UNL1111111111 0.1408 72 H 3.2978 3.8727 0.3989 H 1 UNL1111111111 0.3215 @BOND 1 1 3 1 2 1 18 1 3 2 25 1 4 2 72 1 5 3 4 1 6 3 8 1 7 3 14 1 8 4 6 1 9 4 29 1 10 4 30 1 11 5 7 1 12 5 9 1 13 5 16 1 14 5 31 1 15 6 7 1 16 6 32 1 17 6 33 1 18 7 34 1 19 7 35 1 20 8 13 1 21 8 36 1 22 8 37 1 23 9 10 1 24 9 38 1 25 9 39 1 26 10 12 1 27 10 40 1 28 10 41 1 29 11 12 1 30 11 15 1 31 11 20 1 32 11 42 1 33 12 43 1 34 12 44 1 35 13 17 1 36 13 45 1 37 13 46 1 38 14 47 1 39 14 48 1 40 14 49 1 41 15 19 1 42 15 50 1 43 15 51 1 44 16 52 1 45 16 53 1 46 16 54 1 47 17 18 ar 48 17 23 ar 49 18 24 ar 50 19 21 1 51 19 55 1 52 19 56 1 53 20 57 1 54 20 58 1 55 20 59 1 56 21 22 1 57 21 60 1 58 21 61 1 59 22 27 1 60 22 28 1 61 22 62 1 62 23 25 ar 63 23 63 1 64 24 26 ar 65 24 64 1 66 25 26 ar 67 26 65 1 68 27 66 1 69 27 67 1 70 27 68 1 71 28 69 1 72 28 70 1 73 28 71 1