HMDB0251073 RDKit 3D Deuteroporphyrin 68 72 0 0 0 0 0 0 0 0999 V2000 -3.0700 3.9973 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 2.9478 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 3.0573 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1491 4.2138 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 5.5740 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 6.0767 -0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 5.4038 -1.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 7.3168 -0.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 1.6581 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 1.2566 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 0.1055 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.0919 -0.4275 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 -2.0311 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -3.3997 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4704 -3.8832 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -3.4886 0.1951 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 -4.1766 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 -5.0135 -1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 -4.8400 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 -5.5939 -2.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 -3.9719 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5961 -2.6566 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1102 -1.4850 -0.7636 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8115 -0.5009 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 0.9004 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 1.5705 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 0.8970 -0.3907 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7611 -1.0594 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 -2.3901 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4813 -3.3335 1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 -1.3799 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -2.0382 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1573 -0.0745 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 1.0658 0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 0.7962 1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 2.1446 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 2.1692 1.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3595 3.3197 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 4.6860 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 3.4483 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 4.4645 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 4.1539 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 4.0494 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 5.8507 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 6.2410 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 7.9453 -1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 2.0278 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -4.0336 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 -2.7979 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -5.7164 -2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -5.0981 -3.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -6.6150 -2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 -5.5015 -1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 -4.8149 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 -1.3563 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5298 1.5592 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5086 -0.5717 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 -4.2745 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -3.5342 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5821 -2.9018 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 -1.8801 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -3.1556 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7205 -1.9059 1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5144 1.7742 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 1.6781 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 0.2918 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0318 0.3557 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 3.5689 0.2997 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 1 0 6 7 2 0 6 8 1 0 3 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 1 0 17 18 2 0 18 19 1 0 19 20 1 0 17 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 24 28 1 0 28 29 2 0 29 30 1 0 13 31 1 0 31 32 1 0 31 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 26 2 1 0 27 9 1 0 33 11 1 0 19 15 2 0 29 22 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 8 46 1 0 10 47 1 0 14 48 1 0 16 49 1 0 18 50 1 0 20 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 23 55 1 0 25 56 1 0 28 57 1 0 30 58 1 0 30 59 1 0 30 60 1 0 32 61 1 0 32 62 1 0 32 63 1 0 34 64 1 0 34 65 1 0 35 66 1 0 35 67 1 0 38 68 1 0 M END