HMDB0061867 RDKit 3D Hexacosane 80 79 0 0 0 0 0 0 0 0999 V2000 10.2679 0.8617 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7789 -0.1420 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4304 0.1941 -1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 0.2688 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2737 -1.0562 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -1.0459 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8378 -0.7308 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -1.7141 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -1.3727 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -1.3746 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6215 -1.0542 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 -1.0815 0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.1237 1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 1.3143 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 2.0802 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 1.7296 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 2.6579 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3856 2.2961 -1.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8804 0.8924 -1.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9714 0.6376 -0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1617 1.5118 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2057 1.2547 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6627 -0.1831 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7416 -0.3105 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2849 -1.7242 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1912 -2.7056 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6094 0.9372 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 1.8555 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2473 0.4955 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8285 -1.1477 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5121 -0.1100 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 -0.6306 -2.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 1.1180 -2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 1.0340 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 0.5157 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1099 -1.8567 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2371 -1.2890 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4874 -0.2289 1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2273 -1.9845 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 0.2929 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1862 -0.7263 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 -1.7472 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 -2.7373 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -2.1032 -1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -0.3654 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -2.3767 0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 -0.5626 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 -0.1344 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.8924 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 -1.2428 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -2.1228 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6988 -0.2947 2.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 -0.4722 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4322 1.8410 2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 1.5955 0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 3.1610 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 2.1514 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 1.9009 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 0.7078 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 3.7160 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 2.5381 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1429 3.0216 -2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 2.4378 -2.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1232 0.1054 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 0.7073 -2.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2273 -0.4534 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 0.7187 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 1.2120 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9071 2.5802 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8447 1.4079 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0591 1.9575 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7979 -0.8489 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0266 -0.4936 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5341 0.4036 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2684 -0.0037 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0785 -1.7385 1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6793 -1.9332 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2583 -2.1824 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5095 -3.3022 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0138 -3.4067 0.5458 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 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 20 67 1 0 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 26 80 1 0 M END