@MOLECULE 29-[4-(2,4,4-trimethyl-2-pentanyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol 107 107 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.9953 1.5776 -0.7360 C.3 1 UNL1111111111 -0.3228 2 C -7.0724 0.4757 -0.9041 C.3 1 UNL1111111111 0.1360 3 C -7.5641 0.5476 -2.3694 C.3 1 UNL1111111111 -0.4714 4 C -8.2821 0.7379 0.0103 C.3 1 UNL1111111111 -0.4689 5 C -6.5404 -0.9369 -0.6479 C.3 1 UNL1111111111 -0.4679 6 C -4.9767 1.4911 0.4301 C.3 1 UNL1111111111 0.1127 7 C -4.0260 0.3232 0.2700 C.ar 1 UNL1111111111 -0.0726 8 C -4.1151 2.7800 0.3803 C.3 1 UNL1111111111 -0.4654 9 C -5.7056 1.4848 1.7813 C.3 1 UNL1111111111 -0.4602 10 C -3.4004 0.1068 -0.9605 C.ar 1 UNL1111111111 -0.1125 11 C -2.5127 -0.9506 -1.1514 C.ar 1 UNL1111111111 -0.2921 12 C -2.2530 -1.8044 -0.0824 C.ar 1 UNL1111111111 0.2266 13 C -2.8490 -1.5989 1.1713 C.ar 1 UNL1111111111 -0.2356 14 C -3.7273 -0.5381 1.3337 C.ar 1 UNL1111111111 -0.1191 15 O -1.4458 -2.8947 -0.1066 O.3 1 UNL1111111111 -0.3188 16 C -0.6866 -3.1288 -1.2931 C.3 1 UNL1111111111 -0.1022 17 C -0.0238 -4.4819 -1.0150 C.3 1 UNL1111111111 -0.0550 18 O 0.9071 -4.4084 0.0391 O.3 1 UNL1111111111 -0.3811 19 C 2.1425 -3.7915 -0.2969 C.3 1 UNL1111111111 -0.1044 20 C 2.7506 -3.4040 1.0556 C.3 1 UNL1111111111 -0.0439 21 O 2.6766 -2.0078 1.2632 O.3 1 UNL1111111111 -0.4287 22 C 1.3891 -1.5165 1.5921 C.3 1 UNL1111111111 -0.0871 23 C 1.1662 -1.6628 3.1019 C.3 1 UNL1111111111 -0.0669 24 O -0.0341 -1.0352 3.5011 O.3 1 UNL1111111111 -0.3939 25 C -0.0044 0.3785 3.5475 C.3 1 UNL1111111111 -0.0598 26 C -0.6417 0.9524 2.2764 C.3 1 UNL1111111111 -0.0811 27 O 0.4319 1.5542 1.5651 O.3 1 UNL1111111111 -0.4268 28 C 0.0826 2.6702 0.7746 C.3 1 UNL1111111111 -0.0832 29 C -0.7260 2.2754 -0.4602 C.3 1 UNL1111111111 -0.0860 30 O 0.1093 1.8656 -1.5225 O.3 1 UNL1111111111 -0.3951 31 C 0.7064 0.5898 -1.3225 C.3 1 UNL1111111111 -0.0797 32 C 1.2248 0.2232 -2.7205 C.3 1 UNL1111111111 -0.0584 33 O 1.7719 -1.0827 -2.6563 O.3 1 UNL1111111111 -0.4296 34 C 3.1768 -1.1628 -2.7909 C.3 1 UNL1111111111 -0.0536 35 C 3.8421 -1.1070 -1.4112 C.3 1 UNL1111111111 -0.0816 36 O 4.8515 -0.1140 -1.5367 O.3 1 UNL1111111111 -0.4396 37 C 5.9687 -0.2735 -0.6883 C.3 1 UNL1111111111 -0.0475 38 C 5.6293 -0.1126 0.7951 C.3 1 UNL1111111111 -0.0957 39 O 5.8203 1.2652 1.0790 O.3 1 UNL1111111111 -0.4044 40 C 4.8439 1.8438 1.9199 C.3 1 UNL1111111111 -0.0763 41 C 3.5179 2.0617 1.1878 C.3 1 UNL1111111111 -0.0895 42 O 3.4497 3.3733 0.6651 O.3 1 UNL1111111111 -0.4089 43 C 4.1811 3.5786 -0.5316 C.3 1 UNL1111111111 -0.0927 44 C 3.3330 3.1755 -1.7424 C.3 1 UNL1111111111 -0.0362 45 O 3.9976 2.2324 -2.5496 O.3 1 UNL1111111111 -0.5947 46 H -6.5212 2.5498 -0.6548 H 1 UNL1111111111 0.1392 47 H -5.4208 1.6412 -1.6823 H 1 UNL1111111111 0.1415 48 H -6.7598 0.3051 -3.0706 H 1 UNL1111111111 0.1432 49 H -7.9391 1.5447 -2.6159 H 1 UNL1111111111 0.1401 50 H -8.3761 -0.1641 -2.5477 H 1 UNL1111111111 0.1452 51 H -8.6711 1.7520 -0.1188 H 1 UNL1111111111 0.1395 52 H -9.0977 0.0406 -0.2094 H 1 UNL1111111111 0.1441 53 H -8.0288 0.6108 1.0661 H 1 UNL1111111111 0.1453 54 H -7.3051 -1.6937 -0.8493 H 1 UNL1111111111 0.1418 55 H -5.6764 -1.1615 -1.2841 H 1 UNL1111111111 0.1529 56 H -6.2171 -1.0661 0.3909 H 1 UNL1111111111 0.1520 57 H -3.6392 2.9068 -0.5967 H 1 UNL1111111111 0.1437 58 H -3.3261 2.7505 1.1384 H 1 UNL1111111111 0.1448 59 H -4.7238 3.6692 0.5697 H 1 UNL1111111111 0.1455 60 H -5.0142 1.6394 2.6164 H 1 UNL1111111111 0.1448 61 H -6.4517 2.2859 1.8262 H 1 UNL1111111111 0.1447 62 H -6.2327 0.5387 1.9499 H 1 UNL1111111111 0.1506 63 H -3.6067 0.7713 -1.8005 H 1 UNL1111111111 0.1508 64 H -2.0473 -1.0927 -2.1209 H 1 UNL1111111111 0.1648 65 H -2.6113 -2.2691 1.9956 H 1 UNL1111111111 0.1787 66 H -4.1853 -0.3903 2.3113 H 1 UNL1111111111 0.1552 67 H -1.3516 -3.1779 -2.1721 H 1 UNL1111111111 0.1334 68 H 0.0487 -2.3126 -1.4236 H 1 UNL1111111111 0.1553 69 H 0.4362 -4.8948 -1.9280 H 1 UNL1111111111 0.1227 70 H -0.7606 -5.2064 -0.6069 H 1 UNL1111111111 0.1590 71 H 2.7571 -4.5316 -0.8351 H 1 UNL1111111111 0.1163 72 H 1.9862 -2.9045 -0.9393 H 1 UNL1111111111 0.1547 73 H 3.8394 -3.5879 1.0903 H 1 UNL1111111111 0.1345 74 H 2.2603 -3.9514 1.8820 H 1 UNL1111111111 0.1421 75 H 1.4509 -0.4539 1.2862 H 1 UNL1111111111 0.1576 76 H 0.5950 -2.0202 1.0112 H 1 UNL1111111111 0.1559 77 H 2.0256 -1.2824 3.6784 H 1 UNL1111111111 0.1245 78 H 0.9743 -2.7152 3.3869 H 1 UNL1111111111 0.1407 79 H -0.6160 0.5987 4.4422 H 1 UNL1111111111 0.1342 80 H 1.0147 0.7746 3.6999 H 1 UNL1111111111 0.1400 81 H -1.4327 1.6819 2.5050 H 1 UNL1111111111 0.1184 82 H -1.0622 0.1480 1.6408 H 1 UNL1111111111 0.1532 83 H -0.4400 3.4237 1.3860 H 1 UNL1111111111 0.1175 84 H 1.0819 3.0712 0.4894 H 1 UNL1111111111 0.1784 85 H -1.2373 3.1508 -0.9059 H 1 UNL1111111111 0.1394 86 H -1.4748 1.4937 -0.2340 H 1 UNL1111111111 0.1422 87 H 1.5175 0.6859 -0.5812 H 1 UNL1111111111 0.1313 88 H -0.0331 -0.1388 -0.9502 H 1 UNL1111111111 0.1303 89 H 1.9449 0.9761 -3.0918 H 1 UNL1111111111 0.1567 90 H 0.3979 0.1312 -3.4485 H 1 UNL1111111111 0.1390 91 H 3.3123 -2.1434 -3.2822 H 1 UNL1111111111 0.1356 92 H 3.5753 -0.3737 -3.4595 H 1 UNL1111111111 0.1555 93 H 4.2777 -2.0734 -1.1139 H 1 UNL1111111111 0.1242 94 H 3.1286 -0.7790 -0.6294 H 1 UNL1111111111 0.1560 95 H 6.4525 -1.2428 -0.8978 H 1 UNL1111111111 0.1206 96 H 6.6284 0.5521 -1.0357 H 1 UNL1111111111 0.1640 97 H 6.3454 -0.6550 1.4395 H 1 UNL1111111111 0.1274 98 H 4.6084 -0.4626 1.0295 H 1 UNL1111111111 0.1523 99 H 4.7189 1.2427 2.8349 H 1 UNL1111111111 0.1195 100 H 5.3160 2.8131 2.1814 H 1 UNL1111111111 0.1583 101 H 2.6558 2.0414 1.8852 H 1 UNL1111111111 0.1576 102 H 3.3586 1.3126 0.3923 H 1 UNL1111111111 0.1383 103 H 4.3761 4.6656 -0.4981 H 1 UNL1111111111 0.1397 104 H 5.1477 3.0420 -0.5135 H 1 UNL1111111111 0.1533 105 H 3.1671 4.0169 -2.4397 H 1 UNL1111111111 0.1395 106 H 2.3509 2.7668 -1.4334 H 1 UNL1111111111 0.1432 107 H 4.2885 1.4491 -2.0413 H 1 UNL1111111111 0.3448 @BOND 1 1 2 1 2 1 6 1 3 1 46 1 4 1 47 1 5 2 3 1 6 2 4 1 7 2 5 1 8 3 48 1 9 3 49 1 10 3 50 1 11 4 51 1 12 4 52 1 13 4 53 1 14 5 54 1 15 5 55 1 16 5 56 1 17 6 7 1 18 6 8 1 19 6 9 1 20 7 10 ar 21 7 14 ar 22 8 57 1 23 8 58 1 24 8 59 1 25 9 60 1 26 9 61 1 27 9 62 1 28 10 11 ar 29 10 63 1 30 11 12 ar 31 11 64 1 32 12 13 ar 33 12 15 1 34 13 14 ar 35 13 65 1 36 14 66 1 37 15 16 1 38 16 17 1 39 16 67 1 40 16 68 1 41 17 18 1 42 17 69 1 43 17 70 1 44 18 19 1 45 19 20 1 46 19 71 1 47 19 72 1 48 20 21 1 49 20 73 1 50 20 74 1 51 21 22 1 52 22 23 1 53 22 75 1 54 22 76 1 55 23 24 1 56 23 77 1 57 23 78 1 58 24 25 1 59 25 26 1 60 25 79 1 61 25 80 1 62 26 27 1 63 26 81 1 64 26 82 1 65 27 28 1 66 28 29 1 67 28 83 1 68 28 84 1 69 29 30 1 70 29 85 1 71 29 86 1 72 30 31 1 73 31 32 1 74 31 87 1 75 31 88 1 76 32 33 1 77 32 89 1 78 32 90 1 79 33 34 1 80 34 35 1 81 34 91 1 82 34 92 1 83 35 36 1 84 35 93 1 85 35 94 1 86 36 37 1 87 37 38 1 88 37 95 1 89 37 96 1 90 38 39 1 91 38 97 1 92 38 98 1 93 39 40 1 94 40 41 1 95 40 99 1 96 40 100 1 97 41 42 1 98 41 101 1 99 41 102 1 100 42 43 1 101 43 44 1 102 43 103 1 103 43 104 1 104 44 45 1 105 44 105 1 106 44 106 1 107 45 107 1