HMDB0000810 RDKit 3D Dimethylprotoporphyrin IX dimethyl ester 82 86 0 0 0 0 0 0 0 0999 V2000 -4.9997 2.4618 -4.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5759 1.9120 -3.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8912 1.3591 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4851 0.7062 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9528 0.3631 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5005 0.3615 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 -0.3050 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 -1.1698 1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 -1.1184 1.6778 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 -2.2067 2.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -2.6511 2.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -2.3548 1.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -1.0845 1.0151 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7365 -0.9405 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 0.2343 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8147 1.0590 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3634 0.7225 -1.5342 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 1.8659 -1.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 2.0858 -2.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 1.4858 -1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 0.8617 -0.4122 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 2.9601 -1.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5454 4.4409 -1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 2.4556 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 3.2858 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 3.5219 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 4.3619 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 3.6893 0.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 5.7088 -0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 6.4818 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -2.1814 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 -2.5251 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 -1.7169 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 -2.1425 -0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -1.5706 -2.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 -3.0805 -0.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1549 -3.4710 -1.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 -3.0268 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 -4.4423 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -2.9923 2.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 -4.3183 3.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -2.3480 2.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -2.7757 2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5955 -3.0788 4.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4753 2.9650 -4.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1447 2.6267 -4.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7066 1.7420 -3.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2056 -0.0683 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5235 1.3181 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2217 -0.3389 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 -0.0699 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 -0.2829 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 -3.3047 3.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 0.5311 -0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7196 -0.2985 -1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 2.7520 -3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 4.6064 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2749 4.9529 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7436 4.8735 -0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 4.2708 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 2.7403 0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 2.6447 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9706 4.1469 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 6.2264 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 7.5501 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 6.1274 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -3.6124 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 -2.2995 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -0.6434 -0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1264 -1.7861 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 -2.5763 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8044 -4.0551 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8703 -4.0070 -0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 -4.5540 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -4.7606 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -5.1011 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6003 -4.6254 3.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 -5.0872 2.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 -4.2441 4.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9398 -2.8388 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 -3.0059 4.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6154 -3.3976 4.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 18 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 14 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 31 38 2 0 38 39 1 0 10 40 2 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 3 20 3 1 0 21 6 1 0 42 8 2 0 38 12 1 0 24 16 1 0 1 45 1 0 1 46 1 0 2 47 1 0 5 48 1 0 5 49 1 0 5 50 1 0 7 51 1 0 9 52 1 0 11 53 1 0 15 54 1 0 17 55 1 0 19 56 1 0 23 57 1 0 23 58 1 0 23 59 1 0 25 60 1 0 25 61 1 0 26 62 1 0 26 63 1 0 30 64 1 0 30 65 1 0 30 66 1 0 32 67 1 0 32 68 1 0 33 69 1 0 33 70 1 0 37 71 1 0 37 72 1 0 37 73 1 0 39 74 1 0 39 75 1 0 39 76 1 0 41 77 1 0 41 78 1 0 41 79 1 0 43 80 1 0 44 81 1 0 44 82 1 0 M END