HMDB0252898 RDKit 3D Gnetin C 56 60 0 0 0 0 0 0 0 0999 V2000 9.5840 0.3841 0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1915 0.2426 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3703 0.6612 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 0.5098 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4614 -0.0382 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 -0.1824 0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1342 0.1714 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 0.0018 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 -0.5451 1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 -0.6580 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -1.2213 2.4743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0773 -0.2535 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 0.2931 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 0.4247 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 0.6322 -1.7091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 0.6495 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 2.0021 -0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 2.9205 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 4.1698 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 4.5440 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 5.8104 0.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9694 3.6623 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5339 2.4079 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 -0.2863 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 -1.6686 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5584 -2.5210 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9588 -3.8196 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 -4.6595 1.4109 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7715 -4.2156 -0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2255 -3.4119 -1.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -3.8367 -3.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -2.1337 -1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2979 -0.4539 1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6611 -0.3112 1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0914 -0.4007 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7766 1.0950 -1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4134 0.8603 -1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 -0.6248 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 0.6214 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 -0.8864 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6685 -1.3684 2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 0.8602 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 0.2074 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 2.6331 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1062 4.8981 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5268 6.5442 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 3.9115 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1966 1.6696 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 0.0886 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 -2.1874 1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5214 -4.6701 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0781 -5.2243 -1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -4.2849 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -1.4789 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8935 -0.8976 2.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3279 -0.6370 2.2924 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 2 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 16 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 30 31 1 0 30 32 2 0 5 33 1 0 33 34 2 0 34 2 1 0 14 8 1 0 23 17 1 0 32 25 1 0 24 12 1 0 1 35 1 0 3 36 1 0 4 37 1 0 6 38 1 0 7 39 1 0 9 40 1 0 11 41 1 0 14 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 26 50 1 0 28 51 1 0 29 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 M END