HMDB0286142 RDKit 3D PC(TXB2/17:0) 143143 0 0 0 0 0 0 0 0999 V2000 -3.6097 5.4412 -2.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9718 5.6581 -3.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9264 4.5385 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6245 3.2634 -4.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 2.5490 -3.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 1.2398 -4.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3379 0.2778 -4.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0718 -0.9679 -5.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -1.6753 -4.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 -2.8677 -5.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 -3.6441 -5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -4.1892 -3.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 -4.9890 -3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 -4.3927 -3.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 -3.5037 -4.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 -3.1935 -3.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 -2.5879 -2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -2.5754 -1.6527 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 -1.9555 -2.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1336 -1.3827 -1.2651 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2074 0.1499 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 0.6801 -1.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 2.0572 -1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7763 2.7709 -1.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 2.6903 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0808 3.1788 -3.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 3.7462 -2.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 2.5656 -2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7098 2.5289 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 3.6295 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 3.3173 1.0514 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1387 4.5425 1.9251 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7290 5.5666 1.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 4.2788 3.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1608 3.5372 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9324 3.4178 4.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9352 2.3446 2.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6647 2.1434 1.7504 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7422 1.6074 2.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1172 0.7265 3.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1638 0.2312 4.7610 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8220 -0.1731 5.9365 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -0.8804 4.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -2.0367 3.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 -3.2122 3.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 -3.7663 4.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 -4.2463 5.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 -1.9031 -0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 -1.3375 0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -1.9985 0.5820 P 0 0 0 0 0 5 0 0 0 0 0 0 7.8197 -3.0653 -0.4395 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5974 -0.7216 0.4220 O 0 0 0 0 0 1 0 0 0 0 0 0 7.5872 -2.6979 2.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2449 -1.8701 2.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3849 -2.4775 4.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 -2.7817 4.9806 N 0 0 0 0 0 4 0 0 0 0 0 0 7.3933 -2.9301 6.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6214 -4.0761 4.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1388 -1.7507 4.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 5.3052 -3.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6302 4.5860 -2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 6.3625 -2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 6.5427 -2.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8367 6.0002 -4.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0596 4.2703 -2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9489 4.8641 -3.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 2.5815 -3.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 3.4736 -5.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 2.3350 -2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 3.1310 -3.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 1.5022 -5.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 0.7988 -4.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -0.0120 -3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3349 0.6950 -4.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9027 -1.6907 -4.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9347 -0.7202 -6.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -2.0421 -3.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9091 -1.0032 -4.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 -2.4988 -6.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5694 -3.4892 -5.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 -4.5322 -5.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -3.0301 -5.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5366 -3.3437 -3.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 -4.8487 -3.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 -5.7900 -4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5894 -5.6047 -2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0559 -3.8568 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 -5.2703 -3.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -2.4861 -4.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -3.9389 -5.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7283 -4.1269 -4.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -2.5430 -4.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 -1.6282 -0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9028 0.5155 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 0.4653 -0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 1.9836 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 3.5803 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 2.3747 -3.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 3.9668 -3.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 4.0714 -3.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 4.5678 -2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 1.6905 -3.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 1.6176 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 3.7996 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 4.6045 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0318 3.0574 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 4.8764 2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 5.7957 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 5.2690 3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 3.7434 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7381 4.1946 2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 2.5219 4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 1.3012 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 1.9531 2.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1659 0.3907 3.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 1.1207 5.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 -0.7971 5.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 -0.4791 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 -1.0996 5.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -2.3559 4.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 -1.7019 3.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -2.9870 2.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -4.0394 3.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -4.6808 3.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4635 -3.0875 4.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 -4.9443 6.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 -4.8026 5.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 -3.3806 6.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1895 -1.7242 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 -3.0217 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2731 -1.6795 2.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7502 -0.8965 3.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9264 -3.4618 4.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9930 -1.8275 5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4052 -2.8897 6.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 -2.1000 6.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 -3.8896 6.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 -4.5887 4.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -4.6639 5.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7921 -3.9352 3.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6098 -0.7498 4.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 -1.8900 3.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 -1.7689 5.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 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 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 20 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 38 31 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 20 93 1 1 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 6 32107 1 1 33108 1 0 34109 1 0 34110 1 0 35111 1 0 36112 1 0 38113 1 6 39114 1 0 40115 1 0 41116 1 1 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 57135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 M CHG 2 52 -1 56 1 M END