HMDB0061835 RDKit 3D Heptaethylene glycol 52 51 0 0 0 0 0 0 0 0999 V2000 7.7731 1.7956 0.6118 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 1.9478 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0783 0.6303 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 0.8426 -1.6325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 -0.1566 -2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -0.7295 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 -1.2424 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 -1.8309 1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 -1.0196 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 -0.5696 1.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 0.2084 1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 -0.4803 2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 0.3129 3.2985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 0.7710 2.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 -0.3947 1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 0.1141 1.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 -1.0061 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 -0.6706 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2902 0.0589 -1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4138 0.3120 -2.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0013 1.1023 -3.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4367 2.3022 -3.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 1.8991 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1308 2.7642 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4291 2.1042 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6328 0.4555 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -0.1242 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 0.2166 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -0.9873 -2.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -1.5280 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 0.0777 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0214 -2.8208 0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 -2.1621 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -1.6854 2.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -0.2204 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.6288 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 1.1087 2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6038 -1.4271 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 -0.7462 3.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 1.4538 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 1.3029 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 -1.0759 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3818 -0.9417 2.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8015 -1.6245 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9534 -1.6219 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1505 -1.6261 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5079 -0.1515 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1306 0.8898 -1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9084 -0.6459 -2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2392 0.5658 -4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8739 1.2494 -4.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 2.3750 -2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 M END