@MOLECULE 2,6-di-tert-butyl-4-[(3,7,11-trimethyldodecyl)sulfanyl]phenol 83 83 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.6560 -2.2477 -2.3524 S.3 1 UNL1111111111 -0.0299 2 O 3.4172 2.3123 0.8945 O.3 1 UNL1111111111 -0.4863 3 C -3.1802 0.2330 2.1232 C.3 1 UNL1111111111 -0.0677 4 C -3.8476 -1.1496 2.0095 C.3 1 UNL1111111111 -0.2887 5 C -2.8549 -2.3210 1.9701 C.3 1 UNL1111111111 -0.2663 6 C -1.8746 -2.2186 0.7946 C.3 1 UNL1111111111 -0.2816 7 C -4.2253 1.3677 2.0892 C.3 1 UNL1111111111 -0.2932 8 C -0.9656 -3.4587 0.7154 C.3 1 UNL1111111111 -0.0808 9 C -5.0943 1.4073 0.8256 C.3 1 UNL1111111111 -0.2746 10 C 0.3453 -3.1304 -0.0415 C.3 1 UNL1111111111 -0.2871 11 C -4.2746 1.5484 -0.4601 C.3 1 UNL1111111111 -0.2811 12 C -2.3890 0.3505 3.4348 C.3 1 UNL1111111111 -0.4562 13 C 0.7764 2.5638 -0.4444 C.3 1 UNL1111111111 0.1380 14 C 5.1389 0.1504 0.7746 C.3 1 UNL1111111111 0.1484 15 C -5.1781 1.5758 -1.7090 C.3 1 UNL1111111111 -0.0628 16 C -1.6850 -4.6450 0.0661 C.3 1 UNL1111111111 -0.4538 17 C 1.6955 1.3628 -0.5251 C.ar 1 UNL1111111111 -0.1727 18 C 3.8097 0.1873 0.0414 C.ar 1 UNL1111111111 -0.1067 19 C 0.1070 -2.7664 -1.5021 C.3 1 UNL1111111111 -0.2969 20 C 2.9428 1.3004 0.1234 C.ar 1 UNL1111111111 0.2684 21 C 2.1489 -0.8516 -1.3727 C.ar 1 UNL1111111111 -0.1551 22 C 1.3169 0.2551 -1.2815 C.ar 1 UNL1111111111 -0.1029 23 C 3.3826 -0.8899 -0.7276 C.ar 1 UNL1111111111 -0.1109 24 C 0.3619 2.7942 1.0210 C.3 1 UNL1111111111 -0.4613 25 C 1.5018 3.7870 -1.0360 C.3 1 UNL1111111111 -0.4693 26 C -0.5300 2.3864 -1.2490 C.3 1 UNL1111111111 -0.4551 27 C 6.0349 1.2954 0.2787 C.3 1 UNL1111111111 -0.4590 28 C 4.8900 0.2832 2.2866 C.3 1 UNL1111111111 -0.4585 29 C 5.8908 -1.1759 0.5383 C.3 1 UNL1111111111 -0.4668 30 C -5.9786 0.2748 -1.8520 C.3 1 UNL1111111111 -0.4532 31 C -4.3071 1.7823 -2.9560 C.3 1 UNL1111111111 -0.4550 32 H -2.4788 0.3696 1.2656 H 1 UNL1111111111 0.1335 33 H -4.4781 -1.1871 1.1004 H 1 UNL1111111111 0.1391 34 H -4.5401 -1.2899 2.8608 H 1 UNL1111111111 0.1336 35 H -3.4243 -3.2686 1.9032 H 1 UNL1111111111 0.1320 36 H -2.2949 -2.3779 2.9227 H 1 UNL1111111111 0.1355 37 H -1.2523 -1.3103 0.9125 H 1 UNL1111111111 0.1425 38 H -2.4286 -2.0844 -0.1511 H 1 UNL1111111111 0.1368 39 H -3.7028 2.3377 2.1993 H 1 UNL1111111111 0.1352 40 H -4.8898 1.2787 2.9709 H 1 UNL1111111111 0.1347 41 H -0.6741 -3.7504 1.7553 H 1 UNL1111111111 0.1304 42 H -5.7230 0.4969 0.7791 H 1 UNL1111111111 0.1388 43 H -5.8034 2.2558 0.9059 H 1 UNL1111111111 0.1315 44 H 1.0258 -4.0025 0.0296 H 1 UNL1111111111 0.1443 45 H 0.8640 -2.3050 0.4908 H 1 UNL1111111111 0.1519 46 H -3.6745 2.4774 -0.4168 H 1 UNL1111111111 0.1341 47 H -3.5483 0.7185 -0.5440 H 1 UNL1111111111 0.1430 48 H -1.5770 -0.3846 3.4752 H 1 UNL1111111111 0.1488 49 H -3.0323 0.1798 4.3050 H 1 UNL1111111111 0.1406 50 H -1.9422 1.3424 3.5426 H 1 UNL1111111111 0.1382 51 H -5.8943 2.4260 -1.6129 H 1 UNL1111111111 0.1251 52 H -0.9953 -5.4761 -0.1249 H 1 UNL1111111111 0.1418 53 H -2.4815 -5.0216 0.7152 H 1 UNL1111111111 0.1417 54 H -2.1434 -4.3712 -0.8888 H 1 UNL1111111111 0.1440 55 H -0.2730 -3.6319 -2.0762 H 1 UNL1111111111 0.1564 56 H -0.6518 -1.9700 -1.5973 H 1 UNL1111111111 0.1542 57 H 0.3595 0.2492 -1.8101 H 1 UNL1111111111 0.1679 58 H 4.0099 -1.7797 -0.8276 H 1 UNL1111111111 0.1728 59 H 1.2006 3.0528 1.6712 H 1 UNL1111111111 0.1334 60 H -0.0969 1.8837 1.4368 H 1 UNL1111111111 0.1607 61 H -0.3760 3.6022 1.1068 H 1 UNL1111111111 0.1499 62 H 1.8566 3.5675 -2.0539 H 1 UNL1111111111 0.1581 63 H 2.3771 4.0925 -0.4564 H 1 UNL1111111111 0.1382 64 H 0.8333 4.6490 -1.1034 H 1 UNL1111111111 0.1490 65 H -1.1246 1.5438 -0.8782 H 1 UNL1111111111 0.1489 66 H -0.3329 2.2280 -2.3150 H 1 UNL1111111111 0.1496 67 H -1.1572 3.2820 -1.1696 H 1 UNL1111111111 0.1466 68 H 7.0197 1.2630 0.7591 H 1 UNL1111111111 0.1412 69 H 6.1920 1.2384 -0.8050 H 1 UNL1111111111 0.1451 70 H 5.6031 2.2795 0.4973 H 1 UNL1111111111 0.1610 71 H 5.8164 0.1493 2.8543 H 1 UNL1111111111 0.1405 72 H 4.4912 1.2715 2.5448 H 1 UNL1111111111 0.1602 73 H 4.1715 -0.4643 2.6350 H 1 UNL1111111111 0.1443 74 H 6.8455 -1.1814 1.0828 H 1 UNL1111111111 0.1460 75 H 5.3159 -2.0382 0.8881 H 1 UNL1111111111 0.1458 76 H 6.1245 -1.3229 -0.5239 H 1 UNL1111111111 0.1470 77 H -5.3268 -0.6049 -1.7946 H 1 UNL1111111111 0.1468 78 H -6.7342 0.1806 -1.0671 H 1 UNL1111111111 0.1400 79 H -6.5024 0.2367 -2.8107 H 1 UNL1111111111 0.1404 80 H -3.5912 0.9618 -3.0812 H 1 UNL1111111111 0.1484 81 H -3.7407 2.7175 -2.8995 H 1 UNL1111111111 0.1395 82 H -4.9178 1.8265 -3.8643 H 1 UNL1111111111 0.1391 83 H 2.7752 3.0628 0.9920 H 1 UNL1111111111 0.3306 @BOND 1 1 19 1 2 1 21 1 3 2 20 1 4 2 83 1 5 3 4 1 6 3 7 1 7 3 12 1 8 3 32 1 9 4 5 1 10 4 33 1 11 4 34 1 12 5 6 1 13 5 35 1 14 5 36 1 15 6 8 1 16 6 37 1 17 6 38 1 18 7 9 1 19 7 39 1 20 7 40 1 21 8 10 1 22 8 16 1 23 8 41 1 24 9 11 1 25 9 42 1 26 9 43 1 27 10 19 1 28 10 44 1 29 10 45 1 30 11 15 1 31 11 46 1 32 11 47 1 33 12 48 1 34 12 49 1 35 12 50 1 36 13 17 1 37 13 24 1 38 13 25 1 39 13 26 1 40 14 18 1 41 14 27 1 42 14 28 1 43 14 29 1 44 15 30 1 45 15 31 1 46 15 51 1 47 16 52 1 48 16 53 1 49 16 54 1 50 17 20 ar 51 17 22 ar 52 18 20 ar 53 18 23 ar 54 19 55 1 55 19 56 1 56 21 22 ar 57 21 23 ar 58 22 57 1 59 23 58 1 60 24 59 1 61 24 60 1 62 24 61 1 63 25 62 1 64 25 63 1 65 25 64 1 66 26 65 1 67 26 66 1 68 26 67 1 69 27 68 1 70 27 69 1 71 27 70 1 72 28 71 1 73 28 72 1 74 28 73 1 75 29 74 1 76 29 75 1 77 29 76 1 78 30 77 1 79 30 78 1 80 30 79 1 81 31 80 1 82 31 81 1 83 31 82 1