@MOLECULE tocopherol 81 82 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0113 1.9191 0.9650 O.3 1 UNL1111111111 -0.3605 2 O 3.4466 2.0195 0.7784 O.3 1 UNL1111111111 -0.4796 3 C -2.7733 1.8604 -0.2471 C.3 1 UNL1111111111 0.3003 4 C -2.7376 0.4284 -0.8109 C.3 1 UNL1111111111 -0.3317 5 C -2.2453 2.9121 -1.2319 C.3 1 UNL1111111111 -0.3367 6 C -2.7007 -0.6003 0.3246 C.3 1 UNL1111111111 -0.2607 7 C -2.6322 -3.0700 0.9128 C.3 1 UNL1111111111 -0.0754 8 C -2.8214 -2.0298 -0.2083 C.3 1 UNL1111111111 -0.2870 9 C -0.7573 2.7049 -1.5280 C.3 1 UNL1111111111 -0.2482 10 C -1.2866 -2.9217 1.6519 C.3 1 UNL1111111111 -0.2822 11 C -4.1761 2.2386 0.2472 C.3 1 UNL1111111111 -0.4861 12 C 0.0153 2.3374 -0.3045 C.ar 1 UNL1111111111 -0.0991 13 C -0.0744 -2.9024 0.7150 C.3 1 UNL1111111111 -0.2672 14 C -0.6544 1.9285 0.8519 C.ar 1 UNL1111111111 0.1676 15 C 1.2115 -2.5847 1.4889 C.3 1 UNL1111111111 -0.2921 16 C 2.4089 -2.4659 0.5255 C.3 1 UNL1111111111 -0.0749 17 C -2.7748 -4.4807 0.3264 C.3 1 UNL1111111111 -0.4574 18 C 2.3708 -1.1267 -0.2354 C.3 1 UNL1111111111 -0.2915 19 C 1.4125 2.3659 -0.3027 C.ar 1 UNL1111111111 -0.0271 20 C 0.0216 1.5294 2.0170 C.ar 1 UNL1111111111 -0.0353 21 C 2.8087 -1.2707 -1.6986 C.3 1 UNL1111111111 -0.2667 22 C 1.4176 1.5658 2.0254 C.ar 1 UNL1111111111 -0.0884 23 C 3.7221 -2.5906 1.3110 C.3 1 UNL1111111111 -0.4557 24 C 2.0829 1.9798 0.8640 C.ar 1 UNL1111111111 0.1771 25 C 1.6864 -1.8287 -2.5856 C.3 1 UNL1111111111 -0.2869 26 C 0.6501 -0.7509 -2.9584 C.3 1 UNL1111111111 -0.0540 27 C 2.1837 2.7863 -1.5043 C.3 1 UNL1111111111 -0.4287 28 C -0.7559 1.0725 3.2033 C.3 1 UNL1111111111 -0.4273 29 C 2.1914 1.1424 3.2267 C.3 1 UNL1111111111 -0.4276 30 C -0.6594 -1.4148 -3.4032 C.3 1 UNL1111111111 -0.4619 31 C 1.1780 0.1491 -4.0830 C.3 1 UNL1111111111 -0.4549 32 H -3.6147 0.2632 -1.4609 H 1 UNL1111111111 0.1422 33 H -1.8483 0.2903 -1.4564 H 1 UNL1111111111 0.1550 34 H -2.3948 3.9193 -0.7930 H 1 UNL1111111111 0.1551 35 H -2.8328 2.8924 -2.1652 H 1 UNL1111111111 0.1439 36 H -3.5014 -0.3980 1.0584 H 1 UNL1111111111 0.1350 37 H -1.7481 -0.4818 0.8855 H 1 UNL1111111111 0.1619 38 H -3.4454 -2.9189 1.6656 H 1 UNL1111111111 0.1230 39 H -2.0794 -2.2009 -1.0115 H 1 UNL1111111111 0.1405 40 H -3.8104 -2.1744 -0.6810 H 1 UNL1111111111 0.1304 41 H -0.3423 3.6290 -1.9840 H 1 UNL1111111111 0.1517 42 H -0.6233 1.9124 -2.2974 H 1 UNL1111111111 0.1530 43 H -1.1800 -3.7458 2.3815 H 1 UNL1111111111 0.1302 44 H -1.3034 -1.9921 2.2546 H 1 UNL1111111111 0.1382 45 H -4.8830 2.3199 -0.5821 H 1 UNL1111111111 0.1504 46 H -4.5625 1.4922 0.9518 H 1 UNL1111111111 0.1603 47 H -4.1589 3.1974 0.7804 H 1 UNL1111111111 0.1593 48 H -0.2196 -2.1458 -0.0825 H 1 UNL1111111111 0.1500 49 H 0.0219 -3.8733 0.1969 H 1 UNL1111111111 0.1309 50 H 1.0922 -1.6450 2.0596 H 1 UNL1111111111 0.1408 51 H 1.4025 -3.3730 2.2367 H 1 UNL1111111111 0.1311 52 H 2.3564 -3.3066 -0.2069 H 1 UNL1111111111 0.1318 53 H -2.0103 -4.6788 -0.4325 H 1 UNL1111111111 0.1468 54 H -3.7526 -4.6198 -0.1428 H 1 UNL1111111111 0.1369 55 H -2.6719 -5.2461 1.1024 H 1 UNL1111111111 0.1398 56 H 1.3566 -0.6838 -0.1936 H 1 UNL1111111111 0.1515 57 H 3.0161 -0.3830 0.2707 H 1 UNL1111111111 0.1462 58 H 3.1383 -0.2857 -2.0818 H 1 UNL1111111111 0.1375 59 H 3.6982 -1.9235 -1.7619 H 1 UNL1111111111 0.1288 60 H 3.8166 -3.5766 1.7762 H 1 UNL1111111111 0.1364 61 H 4.5864 -2.4532 0.6521 H 1 UNL1111111111 0.1423 62 H 3.7879 -1.8404 2.1047 H 1 UNL1111111111 0.1369 63 H 2.1148 -2.2691 -3.5032 H 1 UNL1111111111 0.1302 64 H 1.1854 -2.6645 -2.0608 H 1 UNL1111111111 0.1400 65 H 0.4484 -0.1217 -2.0552 H 1 UNL1111111111 0.1401 66 H 2.0687 3.8632 -1.6934 H 1 UNL1111111111 0.1535 67 H 3.2633 2.5977 -1.3956 H 1 UNL1111111111 0.1698 68 H 1.8559 2.2473 -2.4050 H 1 UNL1111111111 0.1534 69 H -0.3681 0.1265 3.6048 H 1 UNL1111111111 0.1515 70 H -1.8190 0.9074 2.9660 H 1 UNL1111111111 0.1662 71 H -0.7278 1.8201 4.0099 H 1 UNL1111111111 0.1555 72 H 2.3622 0.0536 3.2164 H 1 UNL1111111111 0.1597 73 H 3.1701 1.6370 3.3053 H 1 UNL1111111111 0.1380 74 H 1.6603 1.3781 4.1611 H 1 UNL1111111111 0.1633 75 H -0.5032 -2.0666 -4.2687 H 1 UNL1111111111 0.1427 76 H -1.4096 -0.6687 -3.6847 H 1 UNL1111111111 0.1389 77 H -1.0867 -2.0297 -2.6022 H 1 UNL1111111111 0.1428 78 H 1.3302 -0.4158 -5.0084 H 1 UNL1111111111 0.1394 79 H 2.1415 0.5972 -3.8153 H 1 UNL1111111111 0.1434 80 H 0.4792 0.9611 -4.3058 H 1 UNL1111111111 0.1349 81 H 3.8755 1.7404 1.6212 H 1 UNL1111111111 0.3194 @BOND 1 1 3 1 2 1 14 1 3 2 24 1 4 2 81 1 5 3 4 1 6 3 5 1 7 3 11 1 8 4 6 1 9 4 32 1 10 4 33 1 11 5 9 1 12 5 34 1 13 5 35 1 14 6 8 1 15 6 36 1 16 6 37 1 17 7 8 1 18 7 10 1 19 7 17 1 20 7 38 1 21 8 39 1 22 8 40 1 23 9 12 1 24 9 41 1 25 9 42 1 26 10 13 1 27 10 43 1 28 10 44 1 29 11 45 1 30 11 46 1 31 11 47 1 32 12 14 ar 33 12 19 ar 34 13 15 1 35 13 48 1 36 13 49 1 37 14 20 ar 38 15 16 1 39 15 50 1 40 15 51 1 41 16 18 1 42 16 23 1 43 16 52 1 44 17 53 1 45 17 54 1 46 17 55 1 47 18 21 1 48 18 56 1 49 18 57 1 50 19 24 ar 51 19 27 1 52 20 22 ar 53 20 28 1 54 21 25 1 55 21 58 1 56 21 59 1 57 22 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