HMDB0003330 RDKit 3D Peroxyacetic acid uroporphyrin III 99103 0 0 0 0 0 0 0 0999 V2000 -5.9505 -5.6641 1.1116 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5676 -5.6158 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 -6.6573 -0.9779 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8336 -4.4055 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -3.4656 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9425 -2.2188 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4582 -0.9794 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -0.6182 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6091 -0.2591 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6209 0.8580 -1.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4153 -1.2361 -1.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3913 -0.0643 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 1.3346 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1049 2.0888 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9322 1.8673 -0.9195 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 2.8862 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2267 3.1277 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 2.2163 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 0.8984 -0.9607 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 0.1541 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0285 -1.2345 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 -1.9763 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5975 -1.8036 -0.9635 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 -2.7459 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4867 -3.0160 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5413 -2.0983 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -0.8030 -0.3389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -3.5571 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -4.7638 1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -5.8878 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -5.7360 -0.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -7.1360 0.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0168 -3.0782 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 -3.6433 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -2.7727 1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -2.4231 3.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 -2.7934 3.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 -1.6432 4.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 1.1148 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6804 0.7799 -1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 0.1634 -2.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5183 -0.1752 -2.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 -1.1351 -1.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3751 0.5998 -3.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6785 0.2932 -3.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 2.3182 -0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5003 3.5865 -1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 4.3663 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4089 5.1858 0.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 4.1710 1.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 3.8059 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 5.0959 0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 6.1646 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 5.9562 -1.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 7.4155 0.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 3.3034 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 3.9723 1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 4.6912 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0982 5.3020 1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6406 5.9562 2.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 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0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 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 1 0 29 30 1 0 30 31 2 0 30 32 1 0 28 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 20 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 39 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 16 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 51 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 26 6 1 0 27 12 1 0 56 14 2 0 46 18 1 0 33 22 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 8 67 1 0 8 68 1 0 11 69 1 0 13 70 1 0 15 71 1 0 17 72 1 0 21 73 1 0 23 74 1 0 25 75 1 0 29 76 1 0 29 77 1 0 32 78 1 0 34 79 1 0 34 80 1 0 35 81 1 0 35 82 1 0 38 83 1 0 40 84 1 0 40 85 1 0 41 86 1 0 41 87 1 0 45 88 1 0 47 89 1 0 47 90 1 0 50 91 1 0 52 92 1 0 52 93 1 0 55 94 1 0 57 95 1 0 57 96 1 0 58 97 1 0 58 98 1 0 61 99 1 0 M END