HMDB0000579 RDKit 3D Deuteroporphyrin IX 68 72 0 0 0 0 0 0 0 0999 V2000 1.5249 -6.3053 1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 -4.9439 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -4.6134 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.1826 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3161 -2.2377 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 -0.8536 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.1178 -0.6853 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 1.1751 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 2.3499 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 2.6580 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 1.6323 -0.5158 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 2.0662 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6111 1.1349 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4672 -0.2499 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 -0.9730 0.5721 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 -2.2663 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -3.4364 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -3.7301 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -2.7286 0.4164 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -2.3781 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 -3.6274 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 -1.1003 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 -0.7526 -1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8414 -0.3989 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1233 -0.0583 -0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1972 -0.1033 -2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2008 0.3009 -0.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5621 3.4858 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 4.4297 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 4.8845 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 3.9054 1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0349 3.4933 1.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 3.3951 2.4543 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 3.8634 -0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 5.1902 -1.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7272 1.2825 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 0.0030 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4016 -0.3782 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -7.0909 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2004 -6.4848 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 -6.4695 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 -5.2745 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -2.7298 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 -0.5120 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 3.2105 -1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 1.6248 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 -0.5774 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -4.2908 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4129 -3.4013 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 -4.3964 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 -3.9839 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 -1.5020 -1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 0.1929 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -1.2670 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5489 0.4971 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4691 -0.2178 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5222 3.9378 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 5.3210 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 5.6134 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 5.5614 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2802 3.8767 2.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 5.1016 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 5.7958 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5348 5.8135 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 2.2048 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -0.3703 2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7138 -1.3873 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 0.3899 0.9936 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 16 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 12 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 28 34 2 0 34 35 1 0 8 36 2 0 36 37 1 0 37 38 1 0 18 2 1 0 19 4 1 0 37 6 2 0 34 10 1 0 22 14 1 0 1 39 1 0 1 40 1 0 1 41 1 0 3 42 1 0 5 43 1 0 7 44 1 0 9 45 1 0 13 46 1 0 15 47 1 0 17 48 1 0 21 49 1 0 21 50 1 0 21 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 27 56 1 0 29 57 1 0 29 58 1 0 30 59 1 0 30 60 1 0 33 61 1 0 35 62 1 0 35 63 1 0 35 64 1 0 36 65 1 0 38 66 1 0 38 67 1 0 38 68 1 0 M END