HMDB0259023 RDKit 3D Thioperamide 44 46 0 0 0 0 0 0 0 0999 V2000 1.6910 2.1725 -0.2130 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.6363 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -0.4834 0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -0.7313 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 -0.4808 -0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -1.0025 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5531 -0.3712 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7214 0.3743 1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 -0.0115 1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6164 0.6989 -0.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 1.7318 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 1.3850 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 0.0130 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 -0.3410 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3754 -0.6367 1.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6232 -0.9136 1.1851 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6367 -0.7959 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4049 -0.4470 -0.5719 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3711 -0.9747 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2878 -0.2678 -1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 2.7636 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8131 -1.8386 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 0.5651 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9745 -1.1614 -1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -2.1189 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 -0.9008 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1521 -1.1794 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3392 0.3118 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 0.2941 2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 1.4729 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1051 -0.6365 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 0.9051 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 2.7375 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 1.6255 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0502 1.3800 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5869 2.1508 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 0.0082 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 -0.6566 2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4876 -0.9499 -0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0753 -0.2751 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9484 -1.7454 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 -1.4374 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 0.1781 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -1.0470 -1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 13 19 1 0 19 20 1 0 9 4 1 0 20 10 1 0 18 14 1 0 1 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 M END