HMDB0276171 RDKit 3D PI(TXB2/16:1(9Z)) 142143 0 0 0 0 0 0 0 0999 V2000 12.4886 -3.4241 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5392 -1.9477 -1.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 -1.4013 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5872 -1.5957 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2019 -1.2006 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7359 0.1880 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 0.8431 -1.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5788 1.2750 -1.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 1.1304 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 2.5093 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5029 3.2798 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0956 4.6353 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 4.9711 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 4.4739 2.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 3.0086 2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1331 2.5785 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 3.4042 1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7877 1.2456 1.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6448 0.7671 0.9220 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6033 0.2605 1.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3514 1.2162 2.9074 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8098 1.8859 3.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 2.8006 4.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 1.6268 2.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 2.1400 1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4379 2.6036 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 3.2640 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 2.7615 -1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1479 2.0617 -1.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 0.5786 -1.9732 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2122 -0.2222 -1.6817 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8636 -0.6653 -2.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9533 -1.3661 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1162 -2.7358 -1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2511 -2.6376 -2.6885 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3894 -3.7438 -0.8652 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3118 -3.7968 -0.1128 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3050 -3.1022 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -3.0201 1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2743 -2.3070 3.2842 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7662 -1.0166 3.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -2.2254 3.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6833 -1.5240 3.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3966 -0.0822 2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5943 0.4969 2.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8544 0.4301 2.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -3.7244 -0.7870 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0582 -4.1162 -2.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 -2.4716 -0.5818 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0334 -2.6814 0.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6358 -1.8274 -1.8367 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5038 -2.5009 -2.3121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 -1.7645 -1.8704 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0436 -2.8022 -1.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 -0.7360 -3.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 -0.9368 -0.4215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 -0.2884 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -1.5194 -2.8860 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1895 -2.0512 -4.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 -0.0118 -3.1437 C 0 0 1 0 0 0 0 0 0 0 0 0 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3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 37 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 51 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 57 19 1 0 62 30 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 19 93 1 6 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 28103 1 0 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