HMDB0000789 RDKit 3D Pentacarboxylporphyrin I 89 93 0 0 0 0 0 0 0 0999 V2000 -5.4640 2.4633 1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3825 1.4597 1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5232 0.1603 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7317 -0.6454 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0473 -1.4793 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2867 -0.6918 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2273 0.5581 -0.9064 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5847 -1.3326 -2.0927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -0.3910 1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 -1.7172 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -2.3366 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5361 -1.9671 0.2629 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1962 -2.8020 -0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -2.5116 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -1.2616 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 -0.0327 -0.6393 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 0.8346 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 2.2580 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 2.8428 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 2.3680 0.9218 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9475 3.1466 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 3.0325 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0049 1.8207 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 0.6551 0.8998 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5765 4.1439 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3846 5.2473 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 3.9367 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5992 4.7921 -1.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 5.7389 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 6.5378 -1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 6.3706 -2.9167 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 7.5180 -1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 0.1721 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7121 0.7486 1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7893 1.3372 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 0.4767 -0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1594 -0.6970 -0.5192 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 1.0561 -1.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 -1.1726 0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 -2.3084 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3068 -2.8445 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -2.3234 2.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 -3.8860 3.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -3.7767 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 -4.8683 -1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6103 -5.9085 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -6.6119 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -6.3178 0.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 -7.5951 0.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8996 -3.5288 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -4.2519 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8082 2.8446 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0453 3.2906 2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 1.9923 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6369 -1.2784 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 0.0591 1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2336 -2.2116 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9386 -2.1453 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4772 -1.2081 -2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4128 -2.4511 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 -3.4045 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14 61 1 0 16 62 1 0 18 63 1 0 20 64 1 0 22 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 32 73 1 0 34 74 1 0 34 75 1 0 35 76 1 0 35 77 1 0 38 78 1 0 40 79 1 0 40 80 1 0 43 81 1 0 45 82 1 0 45 83 1 0 46 84 1 0 46 85 1 0 49 86 1 0 51 87 1 0 51 88 1 0 51 89 1 0 M END