HMDB0240273 RDKit 3D Pyrvinium 57 60 0 0 0 0 0 0 0 0999 V2000 5.3123 2.1524 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 1.1004 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 1.1402 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 -0.0289 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -0.4275 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 0.3707 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 0.0811 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7499 -1.1060 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0963 -1.4451 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0058 -0.5337 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 -0.8261 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3168 0.0582 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7023 -0.2521 0.3305 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4001 0.1652 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4121 -0.9370 1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8583 1.2419 0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4997 1.5310 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5542 0.6451 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2195 0.9382 0.5905 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.9066 2.2209 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -0.7617 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 -2.1038 -1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7039 -0.0643 -0.2448 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 -0.4629 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7222 -1.3903 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0404 -1.7490 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7039 -1.1833 -1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0172 -0.2568 -1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 0.0972 -1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0952 2.2397 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 3.1235 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8471 1.8286 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 1.9670 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8247 -1.3621 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 1.3158 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -1.8356 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4407 -2.3732 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6915 -1.7580 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1132 -0.5101 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4781 0.2437 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0130 1.1689 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4213 -1.2016 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8712 -1.8241 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4700 -0.2185 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5659 1.9639 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 2.4781 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 2.5081 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 2.9976 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 2.2704 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 -2.6953 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 -2.6422 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1665 -2.0034 -2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2324 -1.8492 1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5753 -2.4712 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7318 -1.4641 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5282 0.1930 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1811 0.8355 -2.1809 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 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 4 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 23 2 1 0 29 24 1 0 19 7 1 0 18 10 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 5 34 1 0 6 35 1 0 8 36 1 0 9 37 1 0 11 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 22 50 1 0 22 51 1 0 22 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 M CHG 1 19 1 M END