HMDB0035779 RDKit 3D Armillane 62 65 0 0 0 0 0 0 0 0999 V2000 7.1929 0.6682 2.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 0.0667 1.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 0.2924 1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.2448 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 0.0284 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1642 0.7523 1.6271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 -0.4772 -0.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.1750 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -1.4856 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -0.9683 -1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -1.9477 -2.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 -0.7312 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -0.7804 0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4943 -0.3238 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4154 -1.5448 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7762 0.3283 2.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 0.6035 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 0.5984 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 1.6732 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0334 2.9052 -0.9008 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1724 1.5310 -1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 2.6072 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 2.5044 -1.3132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5519 0.1914 -1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2902 0.0360 -2.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 -1.0233 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 -1.5728 -1.4088 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 -1.2660 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -0.7167 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 -0.9556 0.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8112 -0.1300 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6243 1.2618 2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9136 1.3603 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 0.9282 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 0.4678 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 -2.3808 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 -1.5947 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -1.9346 -2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 -2.9613 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 -1.7042 -2.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5201 -1.5116 -1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 -1.8354 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3847 -0.1138 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7108 -1.8764 1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8099 -2.3640 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2741 -1.3388 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8819 0.3042 2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4161 1.3624 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -0.2865 3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 1.6280 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5082 0.1738 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5595 0.7235 -2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 1.7389 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2718 2.7660 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 1.8194 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 3.5988 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 2.4888 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 3.0942 -2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2183 0.3188 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -2.1599 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2033 -1.8776 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7227 -0.5386 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 4 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 29 2 1 0 24 8 1 0 24 10 1 0 18 12 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 11 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 23 58 1 0 25 59 1 0 27 60 1 0 28 61 1 0 30 62 1 0 M END