@MOLECULE (1s,3r,5r,6s,8r,10r,11s,13r,15r,16s,18r,20r,21r,23r,25r,26r,28r,30r,31s,33r,35r,36r,37r,38r,39r,40r,41r,42s,43r,44s,45r,46s,47r,48s,49r)-5,15,20,25,30,35-hexakis(hydroxymethyl)-40,42,43,45,47,49-hexamethoxy-10-(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,41,44,46,48-octol (non-preferred name) 168 175 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1982 -7.1450 -1.9604 O.3 1 UNL1111111111 -0.5444 2 C -0.4276 -5.8025 -2.3235 C.3 1 UNL1111111111 -0.0266 3 C -0.9796 -5.0116 -1.1298 C.3 1 UNL1111111111 0.0298 4 C -0.2285 -5.3088 0.1845 C.3 1 UNL1111111111 0.0520 5 O 1.0227 -4.6528 0.1651 O.3 1 UNL1111111111 -0.4602 6 O -2.3184 -5.4885 -1.0195 O.3 1 UNL1111111111 -0.4678 7 C -3.0845 -4.9115 0.0087 C.3 1 UNL1111111111 0.2876 8 C -2.4155 -5.2090 1.3737 C.3 1 UNL1111111111 -0.0052 9 C -0.9803 -4.6509 1.3649 C.3 1 UNL1111111111 0.0512 10 O -0.3300 -5.1120 2.5344 O.3 1 UNL1111111111 -0.4064 11 C -0.1555 -4.1080 3.5213 C.3 1 UNL1111111111 -0.1905 12 O -3.1665 -4.5127 2.3517 O.3 1 UNL1111111111 -0.3874 13 C -3.4780 -5.2955 3.4973 C.3 1 UNL1111111111 -0.1976 14 O -3.0763 -3.5188 -0.1727 O.3 1 UNL1111111111 -0.4500 15 C -4.2999 -2.9605 -0.6355 C.3 1 UNL1111111111 0.0201 16 C -5.0187 -2.4062 0.6165 C.3 1 UNL1111111111 0.0793 17 O -5.4655 -3.5055 1.3776 O.3 1 UNL1111111111 -0.5952 18 C -6.2613 -1.6264 0.1683 C.3 1 UNL1111111111 0.0144 19 O -6.8457 -0.8820 1.2154 O.3 1 UNL1111111111 -0.4009 20 C -7.4676 -1.6701 2.2163 C.3 1 UNL1111111111 -0.1812 21 C -3.9309 -1.8108 -1.5886 C.3 1 UNL1111111111 0.0487 22 C -3.4080 -2.2771 -2.9605 C.3 1 UNL1111111111 -0.0168 23 O -3.5856 -3.6525 -3.1873 O.3 1 UNL1111111111 -0.5505 24 O -5.1317 -1.1173 -1.9177 O.3 1 UNL1111111111 -0.4359 25 C -5.8055 -0.5302 -0.8373 C.3 1 UNL1111111111 0.2989 26 O -4.8988 0.2853 -0.1328 O.3 1 UNL1111111111 -0.4510 27 C -5.1849 1.6731 -0.1363 C.3 1 UNL1111111111 0.0257 28 C -4.7392 2.1318 1.2678 C.3 1 UNL1111111111 0.0952 29 O -5.6883 1.6931 2.2154 O.3 1 UNL1111111111 -0.5854 30 C -4.7622 3.6661 1.3464 C.3 1 UNL1111111111 0.0259 31 O -4.0162 4.0870 2.4734 O.3 1 UNL1111111111 -0.4148 32 C -4.7640 4.1079 3.6793 C.3 1 UNL1111111111 -0.1838 33 C -4.3388 2.3629 -1.2188 C.3 1 UNL1111111111 0.0665 34 C -4.8241 2.0463 -2.6363 C.3 1 UNL1111111111 -0.0718 35 O -6.2458 2.0641 -2.5808 O.3 1 UNL1111111111 -0.3829 36 C -6.8385 1.5479 -3.7579 C.3 1 UNL1111111111 -0.2044 37 O -4.5092 3.7710 -1.0771 O.3 1 UNL1111111111 -0.4253 38 C -4.0400 4.3024 0.1300 C.3 1 UNL1111111111 0.2841 39 O -2.6704 3.9934 0.2527 O.3 1 UNL1111111111 -0.4294 40 C -1.7840 5.0834 0.0775 C.3 1 UNL1111111111 0.0149 41 C -1.0132 5.1805 1.4133 C.3 1 UNL1111111111 0.0948 42 O -1.8874 5.7363 2.3702 O.3 1 UNL1111111111 -0.5936 43 C 0.1514 6.1730 1.2861 C.3 1 UNL1111111111 0.0211 44 O 1.0697 5.9766 2.3453 O.3 1 UNL1111111111 -0.4015 45 C 0.6867 6.6197 3.5524 C.3 1 UNL1111111111 -0.1859 46 C -0.8240 4.7364 -1.0706 C.3 1 UNL1111111111 0.0424 47 C -1.5162 4.7742 -2.4389 C.3 1 UNL1111111111 -0.0220 48 O -0.8161 3.9830 -3.3685 O.3 1 UNL1111111111 -0.5620 49 O 0.1401 5.7910 -1.1307 O.3 1 UNL1111111111 -0.4735 50 C 0.9747 5.9124 0.0023 C.3 1 UNL1111111111 0.2891 51 O 1.6503 4.6926 0.1462 O.3 1 UNL1111111111 -0.4328 52 C 3.0159 4.7147 -0.2465 C.3 1 UNL1111111111 0.0169 53 C 3.7902 4.4268 1.0687 C.3 1 UNL1111111111 0.0831 54 O 3.6972 5.5856 1.8646 O.3 1 UNL1111111111 -0.5644 55 C 5.2872 4.2252 0.7726 C.3 1 UNL1111111111 0.0777 56 O 5.9711 3.6913 1.8667 O.3 1 UNL1111111111 -0.5456 57 C 3.2614 3.5900 -1.2612 C.3 1 UNL1111111111 0.0418 58 C 2.6074 3.7413 -2.6436 C.3 1 UNL1111111111 -0.0123 59 O 2.0262 4.9951 -2.8837 O.3 1 UNL1111111111 -0.5894 60 O 4.6654 3.6392 -1.5431 O.3 1 UNL1111111111 -0.4258 61 C 5.4685 3.2883 -0.4530 C.3 1 UNL1111111111 0.2585 62 O 5.0182 2.0242 -0.0045 O.3 1 UNL1111111111 -0.4520 63 C 5.8984 0.9379 -0.1569 C.3 1 UNL1111111111 0.0564 64 C 5.7468 0.1803 1.1799 C.3 1 UNL1111111111 0.0903 65 O 6.3743 1.0228 2.1266 O.3 1 UNL1111111111 -0.5652 66 C 6.4892 -1.1626 1.0925 C.3 1 UNL1111111111 0.0446 67 O 6.2273 -1.8864 2.2606 O.3 1 UNL1111111111 -0.5804 68 C 5.3809 0.0598 -1.3133 C.3 1 UNL1111111111 0.0264 69 C 5.6301 0.6744 -2.6953 C.3 1 UNL1111111111 -0.0274 70 O 4.7186 0.1547 -3.6337 O.3 1 UNL1111111111 -0.5530 71 O 6.1394 -1.1539 -1.3307 O.3 1 UNL1111111111 -0.4629 72 C 6.0325 -1.9336 -0.1629 C.3 1 UNL1111111111 0.2645 73 O 4.6622 -2.2008 0.0288 O.3 1 UNL1111111111 -0.4523 74 C 4.2371 -3.5072 -0.3083 C.3 1 UNL1111111111 0.0511 75 C 3.0311 -3.3876 -1.2563 C.3 1 UNL1111111111 0.0335 76 C 3.3665 -2.8548 -2.6612 C.3 1 UNL1111111111 -0.0097 77 O 4.7412 -2.8090 -2.9376 O.3 1 UNL1111111111 -0.5846 78 O 2.5661 -4.7132 -1.5053 O.3 1 UNL1111111111 -0.4104 79 C 2.0939 -5.4020 -0.3871 C.3 1 UNL1111111111 0.2578 80 C 3.7686 -4.1288 1.0269 C.3 1 UNL1111111111 0.0295 81 O 4.9764 -4.2252 1.7661 O.3 1 UNL1111111111 -0.4242 82 C 4.8350 -4.8083 3.0540 C.3 1 UNL1111111111 -0.1782 83 C 3.1465 -5.5053 0.7467 C.3 1 UNL1111111111 0.0372 84 O 2.5428 -6.0106 1.9048 O.3 1 UNL1111111111 -0.5527 85 H -1.0496 -7.5821 -1.7430 H 1 UNL1111111111 0.3248 86 H -1.1189 -5.7638 -3.1860 H 1 UNL1111111111 0.1368 87 H 0.5728 -5.4330 -2.6317 H 1 UNL1111111111 0.1724 88 H -0.9898 -3.9180 -1.3380 H 1 UNL1111111111 0.1558 89 H -0.0977 -6.4018 0.3522 H 1 UNL1111111111 0.1594 90 H -4.0856 -5.3778 -0.1153 H 1 UNL1111111111 0.1567 91 H -2.4094 -6.3051 1.5634 H 1 UNL1111111111 0.1541 92 H -0.9706 -3.5421 1.2909 H 1 UNL1111111111 0.1667 93 H 0.3010 -4.6579 4.3539 H 1 UNL1111111111 0.1458 94 H 0.5179 -3.3240 3.1598 H 1 UNL1111111111 0.1294 95 H -1.1207 -3.6838 3.8212 H 1 UNL1111111111 0.1384 96 H -2.5644 -5.6687 3.9739 H 1 UNL1111111111 0.1437 97 H -3.9889 -4.5778 4.1531 H 1 UNL1111111111 0.1509 98 H -4.1480 -6.1192 3.2329 H 1 UNL1111111111 0.1288 99 H -4.9303 -3.7188 -1.1523 H 1 UNL1111111111 0.1615 100 H -4.3434 -1.7799 1.2415 H 1 UNL1111111111 0.1563 101 H -4.6876 -3.9379 1.8002 H 1 UNL1111111111 0.3477 102 H -7.0223 -2.3004 -0.2809 H 1 UNL1111111111 0.1492 103 H -6.7140 -2.2173 2.7947 H 1 UNL1111111111 0.1424 104 H -7.9700 -0.9176 2.8362 H 1 UNL1111111111 0.1394 105 H -8.1910 -2.3671 1.7843 H 1 UNL1111111111 0.1273 106 H -3.2234 -1.1005 -1.1036 H 1 UNL1111111111 0.1572 107 H -3.9984 -1.8149 -3.7807 H 1 UNL1111111111 0.1618 108 H -2.3411 -2.0227 -3.0875 H 1 UNL1111111111 0.1219 109 H -3.1012 -4.1852 -2.5183 H 1 UNL1111111111 0.3294 110 H -6.6383 0.0268 -1.3173 H 1 UNL1111111111 0.1648 111 H -6.2724 1.8645 -0.2810 H 1 UNL1111111111 0.1652 112 H -3.7451 1.7188 1.5530 H 1 UNL1111111111 0.1593 113 H -5.9178 0.7460 2.0507 H 1 UNL1111111111 0.3547 114 H -5.8104 4.0380 1.4041 H 1 UNL1111111111 0.1523 115 H -5.1834 3.1153 3.8933 H 1 UNL1111111111 0.1576 116 H -4.0097 4.3755 4.4294 H 1 UNL1111111111 0.1416 117 H -5.5530 4.8633 3.6290 H 1 UNL1111111111 0.1216 118 H -3.2573 2.1117 -1.1118 H 1 UNL1111111111 0.1583 119 H -4.4665 1.0456 -2.9480 H 1 UNL1111111111 0.1430 120 H -4.4861 2.8142 -3.3559 H 1 UNL1111111111 0.1390 121 H -7.9114 1.6885 -3.5783 H 1 UNL1111111111 0.1422 122 H -6.5294 2.1174 -4.6404 H 1 UNL1111111111 0.1224 123 H -6.6037 0.4840 -3.8781 H 1 UNL1111111111 0.1300 124 H -4.2458 5.3895 0.0268 H 1 UNL1111111111 0.1448 125 H -2.3217 6.0357 -0.1262 H 1 UNL1111111111 0.1480 126 H -0.6679 4.1845 1.7704 H 1 UNL1111111111 0.1589 127 H -2.6805 5.1623 2.4665 H 1 UNL1111111111 0.3572 128 H -0.2278 7.2210 1.2892 H 1 UNL1111111111 0.1535 129 H 1.4489 6.2717 4.2612 H 1 UNL1111111111 0.1476 130 H 0.7227 7.7058 3.4345 H 1 UNL1111111111 0.1224 131 H -0.3139 6.2964 3.8684 H 1 UNL1111111111 0.1541 132 H -0.3093 3.7640 -0.9040 H 1 UNL1111111111 0.1666 133 H -1.6110 5.8047 -2.8257 H 1 UNL1111111111 0.1327 134 H -2.5170 4.2930 -2.3928 H 1 UNL1111111111 0.1683 135 H 0.0915 4.3402 -3.5173 H 1 UNL1111111111 0.3385 136 H 1.6357 6.7679 -0.2659 H 1 UNL1111111111 0.1529 137 H 3.3174 5.6970 -0.6741 H 1 UNL1111111111 0.1592 138 H 3.3588 3.5659 1.6221 H 1 UNL1111111111 0.1478 139 H 2.7597 5.7481 2.1035 H 1 UNL1111111111 0.3440 140 H 5.7859 5.2116 0.6165 H 1 UNL1111111111 0.1676 141 H 5.8789 2.7140 1.9437 H 1 UNL1111111111 0.3523 142 H 3.0024 2.5966 -0.8264 H 1 UNL1111111111 0.1543 143 H 1.8396 2.9604 -2.8014 H 1 UNL1111111111 0.1228 144 H 3.3743 3.6652 -3.4469 H 1 UNL1111111111 0.1661 145 H 1.3664 5.2392 -2.2029 H 1 UNL1111111111 0.3439 146 H 6.4966 3.2850 -0.8625 H 1 UNL1111111111 0.1404 147 H 6.9491 1.2642 -0.3105 H 1 UNL1111111111 0.1507 148 H 4.6816 0.0514 1.4749 H 1 UNL1111111111 0.1572 149 H 6.4193 0.5686 2.9985 H 1 UNL1111111111 0.3455 150 H 7.5950 -1.0112 1.0905 H 1 UNL1111111111 0.1652 151 H 5.6229 -2.6545 2.1012 H 1 UNL1111111111 0.3644 152 H 4.3011 -0.1810 -1.1780 H 1 UNL1111111111 0.1654 153 H 6.6642 0.5030 -3.0438 H 1 UNL1111111111 0.1314 154 H 5.3967 1.7617 -2.6996 H 1 UNL1111111111 0.1778 155 H 4.8593 -0.8107 -3.7654 H 1 UNL1111111111 0.3324 156 H 6.6430 -2.8342 -0.3884 H 1 UNL1111111111 0.1547 157 H 5.0490 -4.1114 -0.7737 H 1 UNL1111111111 0.1647 158 H 2.2108 -2.7948 -0.7922 H 1 UNL1111111111 0.1528 159 H 2.9335 -1.8486 -2.8164 H 1 UNL1111111111 0.1289 160 H 2.9814 -3.5496 -3.4403 H 1 UNL1111111111 0.1644 161 H 5.2214 -2.2081 -2.3304 H 1 UNL1111111111 0.3434 162 H 1.7852 -6.3894 -0.8002 H 1 UNL1111111111 0.1742 163 H 3.0643 -3.4644 1.5722 H 1 UNL1111111111 0.1504 164 H 4.6512 -5.8847 2.9573 H 1 UNL1111111111 0.1482 165 H 5.8124 -4.6181 3.5171 H 1 UNL1111111111 0.1459 166 H 4.0311 -4.3341 3.6223 H 1 UNL1111111111 0.1261 167 H 3.9297 -6.2626 0.5080 H 1 UNL1111111111 0.1693 168 H 1.6636 -5.5822 2.0697 H 1 UNL1111111111 0.3498 @BOND 1 1 85 1 2 2 3 1 3 2 1 1 4 2 86 1 5 2 87 1 6 3 4 1 7 3 6 1 8 3 88 1 9 4 9 1 10 4 89 1 11 5 79 1 12 5 4 1 13 6 7 1 14 7 8 1 15 7 90 1 16 8 12 1 17 8 91 1 18 9 10 1 19 9 8 1 20 9 92 1 21 11 10 1 22 11 93 1 23 11 94 1 24 11 95 1 25 12 13 1 26 13 96 1 27 13 97 1 28 13 98 1 29 14 7 1 30 15 14 1 31 15 16 1 32 15 99 1 33 16 17 1 34 16 100 1 35 17 101 1 36 18 19 1 37 18 16 1 38 18 102 1 39 19 20 1 40 20 103 1 41 20 104 1 42 20 105 1 43 21 15 1 44 21 106 1 45 22 21 1 46 22 23 1 47 22 107 1 48 22 108 1 49 23 109 1 50 24 21 1 51 24 25 1 52 25 18 1 53 25 110 1 54 26 25 1 55 27 28 1 56 27 26 1 57 27 111 1 58 28 29 1 59 28 112 1 60 29 113 1 61 30 31 1 62 30 28 1 63 30 114 1 64 31 32 1 65 32 115 1 66 32 116 1 67 32 117 1 68 33 27 1 69 33 118 1 70 34 35 1 71 34 33 1 72 34 119 1 73 34 120 1 74 36 35 1 75 36 121 1 76 36 122 1 77 36 123 1 78 37 38 1 79 37 33 1 80 38 30 1 81 38 124 1 82 39 38 1 83 40 41 1 84 40 39 1 85 40 125 1 86 41 42 1 87 41 126 1 88 42 127 1 89 43 44 1 90 43 41 1 91 43 128 1 92 45 44 1 93 45 129 1 94 45 130 1 95 45 131 1 96 46 40 1 97 46 132 1 98 47 46 1 99 47 133 1 100 47 134 1 101 48 47 1 102 48 135 1 103 49 50 1 104 49 46 1 105 50 51 1 106 50 43 1 107 50 136 1 108 52 51 1 109 52 53 1 110 52 137 1 111 53 54 1 112 53 138 1 113 54 139 1 114 55 53 1 115 55 56 1 116 55 140 1 117 56 141 1 118 57 52 1 119 57 142 1 120 58 57 1 121 58 143 1 122 58 144 1 123 59 58 1 124 59 145 1 125 60 57 1 126 60 61 1 127 61 55 1 128 61 62 1 129 61 146 1 130 62 63 1 131 63 68 1 132 63 64 1 133 63 147 1 134 64 66 1 135 64 148 1 136 65 64 1 137 65 149 1 138 66 72 1 139 66 67 1 140 66 150 1 141 67 151 1 142 68 71 1 143 68 152 1 144 69 68 1 145 69 153 1 146 69 154 1 147 70 69 1 148 70 155 1 149 71 72 1 150 72 73 1 151 72 156 1 152 73 74 1 153 74 80 1 154 74 157 1 155 75 74 1 156 75 78 1 157 75 158 1 158 76 75 1 159 76 159 1 160 76 160 1 161 77 76 1 162 77 161 1 163 78 79 1 164 79 83 1 165 79 162 1 166 80 81 1 167 80 83 1 168 80 163 1 169 81 82 1 170 82 164 1 171 82 165 1 172 82 166 1 173 83 84 1 174 83 167 1 175 84 168 1