@MOLECULE e-tokoferol 72 73 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6972 2.2405 1.0445 O.3 1 UNL1111111111 -0.3668 2 O 4.5199 -1.4402 -1.8407 O.3 1 UNL1111111111 -0.4764 3 C 0.4846 2.8137 0.5294 C.3 1 UNL1111111111 0.3007 4 C 0.6236 3.0959 -0.9717 C.3 1 UNL1111111111 -0.3343 5 C -0.6489 1.8300 0.8797 C.3 1 UNL1111111111 -0.3194 6 C 0.9240 1.8051 -1.7324 C.3 1 UNL1111111111 -0.2494 7 C 2.0270 1.0565 -1.0604 C.ar 1 UNL1111111111 -0.0826 8 C 0.4047 4.1211 1.3236 C.3 1 UNL1111111111 -0.4855 9 C 2.3444 1.3234 0.2769 C.ar 1 UNL1111111111 0.1518 10 C -2.0220 2.3477 0.4428 C.3 1 UNL1111111111 -0.2603 11 C 2.7646 0.1026 -1.7633 C.ar 1 UNL1111111111 -0.0396 12 C 3.4080 0.6805 0.9348 C.ar 1 UNL1111111111 0.0026 13 C -3.1192 1.3946 0.7915 C.2 1 UNL1111111111 -0.2112 14 C 3.8188 -0.5340 -1.0973 C.ar 1 UNL1111111111 0.2133 15 C 4.1522 -0.2597 0.2286 C.ar 1 UNL1111111111 -0.2833 16 C 2.4772 -0.2315 -3.1838 C.3 1 UNL1111111111 -0.4231 17 C 3.7274 1.0123 2.3487 C.3 1 UNL1111111111 -0.4283 18 C -4.2759 1.2886 0.1254 C.2 1 UNL1111111111 0.0252 19 C -5.3528 0.3544 0.6024 C.3 1 UNL1111111111 -0.2845 20 C -4.6026 2.0503 -1.1172 C.3 1 UNL1111111111 -0.4529 21 C -5.2543 -1.0109 -0.1021 C.3 1 UNL1111111111 -0.2566 22 C -4.0369 -1.7662 0.3157 C.2 1 UNL1111111111 -0.2198 23 C -3.1226 -2.2742 -0.5228 C.2 1 UNL1111111111 0.0282 24 C -1.9749 -3.0852 0.0066 C.3 1 UNL1111111111 -0.2823 25 C -0.6328 -2.3876 -0.2720 C.3 1 UNL1111111111 -0.2472 26 C -3.1654 -2.0942 -2.0034 C.3 1 UNL1111111111 -0.4507 27 C 0.5021 -3.2274 0.2146 C.2 1 UNL1111111111 -0.2291 28 C 1.0949 -3.1082 1.4096 C.2 1 UNL1111111111 0.0601 29 C 0.6975 -2.1410 2.4701 C.3 1 UNL1111111111 -0.4521 30 C 2.2642 -3.9713 1.7767 C.3 1 UNL1111111111 -0.4599 31 H -0.2840 3.5799 -1.3708 H 1 UNL1111111111 0.1469 32 H 1.4478 3.8179 -1.1298 H 1 UNL1111111111 0.1540 33 H -0.4435 0.8494 0.4119 H 1 UNL1111111111 0.1596 34 H -0.6333 1.6384 1.9707 H 1 UNL1111111111 0.1529 35 H 0.0190 1.1633 -1.8045 H 1 UNL1111111111 0.1577 36 H 1.2025 2.0577 -2.7779 H 1 UNL1111111111 0.1509 37 H 0.2097 3.9296 2.3841 H 1 UNL1111111111 0.1591 38 H 1.3578 4.6636 1.2693 H 1 UNL1111111111 0.1612 39 H -0.3801 4.7763 0.9440 H 1 UNL1111111111 0.1515 40 H -2.0066 2.5578 -0.6474 H 1 UNL1111111111 0.1425 41 H -2.2379 3.3205 0.9364 H 1 UNL1111111111 0.1448 42 H -2.9291 0.7820 1.6729 H 1 UNL1111111111 0.1515 43 H 4.9819 -0.7725 0.7013 H 1 UNL1111111111 0.1594 44 H 1.4074 -0.4180 -3.3540 H 1 UNL1111111111 0.1513 45 H 3.0123 -1.1378 -3.5108 H 1 UNL1111111111 0.1696 46 H 2.7952 0.5808 -3.8543 H 1 UNL1111111111 0.1512 47 H 4.0107 2.0731 2.4443 H 1 UNL1111111111 0.1628 48 H 2.8502 0.8589 2.9972 H 1 UNL1111111111 0.1616 49 H 4.5500 0.4129 2.7542 H 1 UNL1111111111 0.1473 50 H -6.3547 0.7901 0.4140 H 1 UNL1111111111 0.1383 51 H -5.2952 0.2167 1.7009 H 1 UNL1111111111 0.1453 52 H -4.5232 1.3964 -1.9992 H 1 UNL1111111111 0.1553 53 H -5.6254 2.4496 -1.0947 H 1 UNL1111111111 0.1490 54 H -3.9349 2.9057 -1.2803 H 1 UNL1111111111 0.1497 55 H -5.2928 -0.8555 -1.1977 H 1 UNL1111111111 0.1413 56 H -6.1497 -1.6210 0.1457 H 1 UNL1111111111 0.1398 57 H 5.2335 -1.8624 -1.3128 H 1 UNL1111111111 0.3186 58 H -3.9454 -1.8984 1.3937 H 1 UNL1111111111 0.1455 59 H -1.9847 -4.0946 -0.4516 H 1 UNL1111111111 0.1462 60 H -2.0725 -3.2651 1.0968 H 1 UNL1111111111 0.1457 61 H -0.6323 -1.3828 0.1970 H 1 UNL1111111111 0.1458 62 H -0.5211 -2.2000 -1.3591 H 1 UNL1111111111 0.1413 63 H -2.5854 -2.8588 -2.5364 H 1 UNL1111111111 0.1528 64 H -4.1891 -2.1387 -2.3980 H 1 UNL1111111111 0.1472 65 H -2.7485 -1.1130 -2.2800 H 1 UNL1111111111 0.1582 66 H 0.8380 -3.9734 -0.5035 H 1 UNL1111111111 0.1421 67 H 0.4677 -2.6573 3.4120 H 1 UNL1111111111 0.1484 68 H -0.1875 -1.5479 2.2050 H 1 UNL1111111111 0.1566 69 H 1.5101 -1.4261 2.6707 H 1 UNL1111111111 0.1587 70 H 3.1420 -3.3545 2.0180 H 1 UNL1111111111 0.1544 71 H 2.0449 -4.5882 2.6580 H 1 UNL1111111111 0.1489 72 H 2.5609 -4.6513 0.9695 H 1 UNL1111111111 0.1480 @BOND 1 1 3 1 2 1 9 1 3 2 14 1 4 2 57 1 5 3 4 1 6 3 5 1 7 3 8 1 8 4 6 1 9 4 31 1 10 4 32 1 11 5 10 1 12 5 33 1 13 5 34 1 14 6 7 1 15 6 35 1 16 6 36 1 17 7 9 ar 18 7 11 ar 19 8 37 1 20 8 38 1 21 8 39 1 22 9 12 ar 23 10 13 1 24 10 40 1 25 10 41 1 26 11 14 ar 27 11 16 1 28 12 15 ar 29 12 17 1 30 13 18 2 31 13 42 1 32 14 15 ar 33 15 43 1 34 16 44 1 35 16 45 1 36 16 46 1 37 17 47 1 38 17 48 1 39 17 49 1 40 18 19 1 41 18 20 1 42 19 21 1 43 19 50 1 44 19 51 1 45 20 52 1 46 20 53 1 47 20 54 1 48 21 22 1 49 21 55 1 50 21 56 1 51 22 23 2 52 22 58 1 53 23 24 1 54 23 26 1 55 24 25 1 56 24 59 1 57 24 60 1 58 25 27 1 59 25 61 1 60 25 62 1 61 26 63 1 62 26 64 1 63 26 65 1 64 27 28 2 65 27 66 1 66 28 29 1 67 28 30 1 68 29 67 1 69 29 68 1 70 29 69 1 71 30 70 1 72 30 71 1 73 30 72 1