@MOLECULE 6-o-[(2r,3r,23z,33z)-3-hydroxy-2-octyl-23,33-dopentacontadienoyl]-alpha-l-idopyranose 200 200 0 0 0 SMALL GASTEIGER @ATOM 1 C 15.8363 16.1991 -4.1893 C.3 1 UNL1111111111 -0.4398 2 C 15.2857 15.2235 -3.1489 C.3 1 UNL1111111111 -0.2511 3 C 15.9610 13.8513 -3.2735 C.3 1 UNL1111111111 -0.2722 4 C 15.4038 12.8734 -2.2313 C.3 1 UNL1111111111 -0.2747 5 C 16.0759 11.5011 -2.3647 C.3 1 UNL1111111111 -0.2723 6 C 15.5170 10.5169 -1.3293 C.3 1 UNL1111111111 -0.2717 7 C 16.1914 9.1465 -1.4705 C.3 1 UNL1111111111 -0.2728 8 C 15.6360 8.1563 -0.4390 C.3 1 UNL1111111111 -0.2727 9 C 16.3185 6.7903 -0.5844 C.3 1 UNL1111111111 -0.2727 10 C 15.7701 5.7926 0.4433 C.3 1 UNL1111111111 -0.2727 11 C 16.4651 4.4330 0.2964 C.3 1 UNL1111111111 -0.2727 12 C 15.9115 3.4259 1.3119 C.3 1 UNL1111111111 -0.2729 13 C 16.6087 2.0679 1.1611 C.3 1 UNL1111111111 -0.2732 14 C 16.0386 1.0526 2.1592 C.3 1 UNL1111111111 -0.2727 15 C 16.7255 -0.3094 1.9990 C.3 1 UNL1111111111 -0.2712 16 C 16.1375 -1.3292 2.9827 C.3 1 UNL1111111111 -0.2740 17 C 16.8092 -2.6962 2.8105 C.3 1 UNL1111111111 -0.2617 18 C 16.1941 -3.7260 3.7721 C.3 1 UNL1111111111 -0.2800 19 C 16.7934 -5.0733 3.5238 C.2 1 UNL1111111111 -0.1651 20 C 16.3063 -5.9734 2.6639 C.2 1 UNL1111111111 -0.1646 21 C 15.0890 -5.7677 1.8201 C.3 1 UNL1111111111 -0.2802 22 C 13.8383 -6.2322 2.5840 C.3 1 UNL1111111111 -0.2619 23 C 12.5678 -5.9108 1.7886 C.3 1 UNL1111111111 -0.2736 24 C 11.3188 -6.3321 2.5730 C.3 1 UNL1111111111 -0.2704 25 C 10.0459 -6.0103 1.7800 C.3 1 UNL1111111111 -0.2739 26 C 8.7975 -6.4095 2.5763 C.3 1 UNL1111111111 -0.2709 27 C 7.5249 -6.1093 1.7748 C.3 1 UNL1111111111 -0.2599 28 C 6.2616 -6.4844 2.5681 C.3 1 UNL1111111111 -0.2779 29 C 6.1702 -7.9637 2.7695 C.2 1 UNL1111111111 -0.1647 30 C 5.7385 -8.8382 1.8550 C.2 1 UNL1111111111 -0.1644 31 C 5.2936 -8.4868 0.4736 C.3 1 UNL1111111111 -0.2782 32 C 3.9740 -9.1947 0.1297 C.3 1 UNL1111111111 -0.2665 33 C 3.5032 -8.8033 -1.2764 C.3 1 UNL1111111111 -0.2727 34 C 2.1582 -9.4647 -1.6030 C.3 1 UNL1111111111 -0.2710 35 C 1.6753 -9.0478 -2.9981 C.3 1 UNL1111111111 -0.2745 36 C 0.3056 -9.6661 -3.3060 C.3 1 UNL1111111111 -0.2706 37 C -0.2066 -9.1912 -4.6718 C.3 1 UNL1111111111 -0.2694 38 C -1.5886 -9.7724 -5.0008 C.3 1 UNL1111111111 -0.2714 39 C -2.7103 -9.1925 -4.1279 C.3 1 UNL1111111111 -0.2691 40 C -2.9810 -7.7175 -4.4489 C.3 1 UNL1111111111 -0.2703 41 C -4.1523 -7.1847 -3.6138 C.3 1 UNL1111111111 -0.2739 42 C -4.3938 -5.7008 -3.9171 C.3 1 UNL1111111111 -0.2720 43 C -5.5677 -5.1572 -3.0930 C.3 1 UNL1111111111 -0.2727 44 C -5.8048 -3.6753 -3.4112 C.3 1 UNL1111111111 -0.2725 45 C -6.9355 -3.1044 -2.5463 C.3 1 UNL1111111111 -0.2736 46 C -7.1730 -1.6252 -2.8759 C.3 1 UNL1111111111 -0.2728 47 C -8.2375 -1.0273 -1.9476 C.3 1 UNL1111111111 -0.2736 48 C -8.4701 0.4521 -2.2760 C.3 1 UNL1111111111 -0.2589 49 C -9.4745 1.0707 -1.2980 C.3 1 UNL1111111111 -0.3412 50 C -9.7668 2.5236 -1.7002 C.3 1 UNL1111111111 0.1681 51 O -10.3918 2.5647 -2.9543 O.3 1 UNL1111111111 -0.5615 52 C -10.6529 3.2282 -0.6328 C.3 1 UNL1111111111 -0.2591 53 C -10.9161 4.6842 -1.0502 C.3 1 UNL1111111111 -0.2645 54 C -12.1676 5.3026 -0.4189 C.3 1 UNL1111111111 -0.2805 55 C -12.1163 5.3374 1.1123 C.3 1 UNL1111111111 -0.2806 56 C -13.4247 5.9115 1.6746 C.3 1 UNL1111111111 -0.2755 57 C -13.6277 5.4970 3.1371 C.3 1 UNL1111111111 -0.2823 58 C -15.0237 5.9062 3.6224 C.3 1 UNL1111111111 -0.2752 59 C -15.2877 5.3751 5.0374 C.3 1 UNL1111111111 -0.2617 60 C -16.7461 5.5896 5.4393 C.3 1 UNL1111111111 -0.4461 61 C -11.9449 2.4698 -0.5531 C.2 1 UNL1111111111 0.6392 62 O -12.6670 2.1680 -1.4816 O.2 1 UNL1111111111 -0.5753 63 O -12.1969 2.0827 0.7131 O.3 1 UNL1111111111 -0.4122 64 C -13.3775 1.3256 0.9668 C.3 1 UNL1111111111 -0.0625 65 C -14.5356 2.2885 1.2728 C.3 1 UNL1111111111 0.0265 66 O -14.9381 1.9077 2.5808 O.3 1 UNL1111111111 -0.4604 67 C -16.2997 1.7850 2.8726 C.3 1 UNL1111111111 0.3493 68 O -16.9001 3.0531 2.8463 O.3 1 UNL1111111111 -0.6104 69 C -17.1250 0.9407 1.8777 C.3 1 UNL1111111111 0.0581 70 O -17.1449 -0.3480 2.4560 O.3 1 UNL1111111111 -0.5573 71 C -16.4628 0.8902 0.4930 C.3 1 UNL1111111111 0.0646 72 O -17.5187 0.7687 -0.4345 O.3 1 UNL1111111111 -0.5633 73 C -15.6978 2.2124 0.2712 C.3 1 UNL1111111111 0.0586 74 O -15.3227 2.2772 -1.0720 O.3 1 UNL1111111111 -0.5888 75 H 15.3574 17.1808 -4.1057 H 1 UNL1111111111 0.1399 76 H 15.6664 15.8352 -5.2088 H 1 UNL1111111111 0.1422 77 H 16.9151 16.3474 -4.0679 H 1 UNL1111111111 0.1423 78 H 15.4393 15.6298 -2.1315 H 1 UNL1111111111 0.1335 79 H 14.1912 15.1186 -3.2712 H 1 UNL1111111111 0.1334 80 H 15.8096 13.4476 -4.2918 H 1 UNL1111111111 0.1364 81 H 17.0548 13.9560 -3.1492 H 1 UNL1111111111 0.1364 82 H 15.5603 13.2750 -1.2130 H 1 UNL1111111111 0.1362 83 H 14.3094 12.7727 -2.3531 H 1 UNL1111111111 0.1362 84 H 17.1700 11.6021 -2.2383 H 1 UNL1111111111 0.1364 85 H 15.9236 11.1035 -3.3855 H 1 UNL1111111111 0.1364 86 H 15.6712 10.9125 -0.3083 H 1 UNL1111111111 0.1363 87 H 14.4228 10.4157 -1.4539 H 1 UNL1111111111 0.1362 88 H 16.0381 8.7533 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H -16.3901 3.0865 0.3883 H 1 UNL1111111111 0.1747 200 H -14.3639 2.1398 -1.2375 H 1 UNL1111111111 0.3619 @BOND 1 1 2 1 2 1 75 1 3 1 76 1 4 1 77 1 5 2 3 1 6 2 78 1 7 2 79 1 8 3 4 1 9 3 80 1 10 3 81 1 11 4 5 1 12 4 82 1 13 4 83 1 14 5 6 1 15 5 84 1 16 5 85 1 17 6 7 1 18 6 86 1 19 6 87 1 20 7 8 1 21 7 88 1 22 7 89 1 23 8 9 1 24 8 90 1 25 8 91 1 26 9 10 1 27 9 92 1 28 9 93 1 29 10 11 1 30 10 94 1 31 10 95 1 32 11 12 1 33 11 96 1 34 11 97 1 35 12 13 1 36 12 98 1 37 12 99 1 38 13 14 1 39 13 100 1 40 13 101 1 41 14 15 1 42 14 102 1 43 14 103 1 44 15 16 1 45 15 104 1 46 15 105 1 47 16 17 1 48 16 106 1 49 16 107 1 50 17 18 1 51 17 108 1 52 17 109 1 53 18 19 1 54 18 110 1 55 18 111 1 56 19 20 2 57 19 112 1 58 20 21 1 59 20 113 1 60 21 22 1 61 21 114 1 62 21 115 1 63 22 23 1 64 22 116 1 65 22 117 1 66 23 24 1 67 23 118 1 68 23 119 1 69 24 25 1 70 24 120 1 71 24 121 1 72 25 26 1 73 25 122 1 74 25 123 1 75 26 27 1 76 26 124 1 77 26 125 1 78 27 28 1 79 27 126 1 80 27 127 1 81 28 29 1 82 28 128 1 83 28 129 1 84 29 30 2 85 29 130 1 86 30 31 1 87 30 131 1 88 31 32 1 89 31 132 1 90 31 133 1 91 32 33 1 92 32 134 1 93 32 135 1 94 33 34 1 95 33 136 1 96 33 137 1 97 34 35 1 98 34 138 1 99 34 139 1 100 35 36 1 101 35 140 1 102 35 141 1 103 36 37 1 104 36 142 1 105 36 143 1 106 37 38 1 107 37 144 1 108 37 145 1 109 38 39 1 110 38 146 1 111 38 147 1 112 39 40 1 113 39 148 1 114 39 149 1 115 40 41 1 116 40 150 1 117 40 151 1 118 41 42 1 119 41 152 1 120 41 153 1 121 42 43 1 122 42 154 1 123 42 155 1 124 43 44 1 125 43 156 1 126 43 157 1 127 44 45 1 128 44 158 1 129 44 159 1 130 45 46 1 131 45 160 1 132 45 161 1 133 46 47 1 134 46 162 1 135 46 163 1 136 47 48 1 137 47 164 1 138 47 165 1 139 48 49 1 140 48 166 1 141 48 167 1 142 49 50 1 143 49 168 1 144 49 169 1 145 50 51 1 146 50 52 1 147 50 170 1 148 51 171 1 149 52 53 1 150 52 61 1 151 52 172 1 152 53 54 1 153 53 173 1 154 53 174 1 155 54 55 1 156 54 175 1 157 54 176 1 158 55 56 1 159 55 177 1 160 55 178 1 161 56 57 1 162 56 179 1 163 56 180 1 164 57 58 1 165 57 181 1 166 57 182 1 167 58 59 1 168 58 183 1 169 58 184 1 170 59 60 1 171 59 185 1 172 59 186 1 173 60 187 1 174 60 188 1 175 60 189 1 176 61 62 2 177 61 63 1 178 63 64 1 179 64 65 1 180 64 190 1 181 64 191 1 182 65 66 1 183 65 73 1 184 65 192 1 185 66 67 1 186 67 68 1 187 67 69 1 188 67 193 1 189 68 194 1 190 69 70 1 191 69 71 1 192 69 195 1 193 70 196 1 194 71 72 1 195 71 73 1 196 71 197 1 197 72 198 1 198 73 74 1 199 73 199 1 200 74 200 1