HMDB0037750 RDKit 3D Cyclokievitone hydrate 47 50 0 0 0 0 0 0 0 0999 V2000 -4.8733 -1.1660 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -0.0267 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 0.4361 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -0.5160 1.3479 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4885 -0.6118 1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 -1.4452 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 -1.5259 1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 -2.3699 2.7931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2923 -0.7460 0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 0.0886 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8166 0.1409 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 1.0260 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9904 1.1395 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2608 2.3248 0.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1972 0.9048 -0.7952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 1.2425 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.1468 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7048 0.0379 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2929 0.7914 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 0.8852 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4737 0.2125 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 0.2904 -0.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 -0.5494 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -0.6268 -1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 -1.3927 -2.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 -0.8417 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -1.4419 1.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2556 -2.0064 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6677 -0.8121 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -1.4913 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9371 0.7645 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7368 -0.3970 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3195 1.3417 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2149 -2.0357 2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -2.5429 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 0.6796 -1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 2.0037 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 1.1868 -1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8801 3.0819 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 1.9709 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5553 1.4689 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 -0.6148 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 1.3078 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1152 1.4689 1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3438 1.0571 -0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 -1.0738 -1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 -1.4718 -2.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 17 26 1 0 26 27 2 0 13 2 1 0 24 18 1 0 11 5 1 0 26 9 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 6 34 1 0 8 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 22 45 1 0 23 46 1 0 25 47 1 0 M END