HMDB0260713 RDKit 3D PE(TXB2/14:1(9Z)) 123123 0 0 0 0 0 0 0 0999 V2000 13.1494 5.5071 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1784 4.4350 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9183 3.1772 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8790 2.1415 -0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0809 2.6373 -1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7846 2.7881 -1.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9806 2.4714 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 1.3794 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0705 1.8002 -1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 0.6032 -2.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 0.1679 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4871 1.1936 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.6476 -1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 0.4694 -1.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 0.0596 -2.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 -0.1711 -0.7781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 -1.2923 -1.0976 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3841 -1.0560 -0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 -0.8086 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 -1.6121 1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 -2.8490 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9335 -1.0323 3.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 0.3840 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 0.4564 2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 -0.2950 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3753 -1.3418 2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 -1.9310 1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6699 -1.9376 0.6198 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7316 -2.7057 1.3089 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3108 -3.3323 2.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9771 -1.9119 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6934 -0.5293 1.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4422 -0.5071 3.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6842 0.1468 1.2731 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0892 -0.5377 0.2381 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9367 -0.5837 -0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9619 0.2599 -1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8145 0.2120 -2.3755 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9809 -0.4877 -2.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0376 1.5694 -2.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7092 2.5478 -2.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0713 2.1443 -1.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6757 3.1862 -0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8597 4.5311 -1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 -2.5466 -0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 -2.7141 -1.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 -3.9440 -0.5360 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9454 -3.4254 0.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 -4.4446 -1.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -5.3010 0.1404 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4482 -5.2112 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 -6.6155 1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 -7.4034 2.0181 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8620 6.4664 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1717 5.1887 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 5.5309 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6509 4.7882 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4617 4.2355 1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5928 3.3725 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5280 2.8051 0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3839 1.7066 0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5168 1.2961 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6210 2.8953 -2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 3.1800 -2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5122 2.0583 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 3.3929 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5317 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4555 1.0396 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4836 2.7117 -1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 1.9795 -2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 -0.2244 -2.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5609 0.8211 -3.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 -0.3189 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7293 -0.6804 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9898 0.7287 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0084 2.0974 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7475 2.3873 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8106 2.1087 -2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 -1.4748 -2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0487 -1.9055 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7999 -0.1654 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -1.0376 3.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6976 -1.6174 3.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 0.8913 3.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 0.9457 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 0.1312 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.5462 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 0.0763 4.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0295 -1.7639 3.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0002 -3.0250 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -1.4480 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4460 -2.4557 -0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0450 -3.6062 0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7594 -4.1225 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5958 -1.9906 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5601 -2.3999 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6765 0.0395 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0390 0.3972 3.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 0.0046 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6949 -1.3258 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1280 0.9612 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2284 -0.3889 -3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8799 -1.1650 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5825 1.4609 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0244 1.9842 -3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0821 2.6788 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7413 3.5398 -2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7293 2.0425 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0523 1.1885 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6995 2.8616 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0633 3.3461 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1918 5.2219 -0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7127 4.4899 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9517 4.9381 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 -3.3484 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -2.3410 0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 -3.8159 -2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -4.6209 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 -4.7189 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -6.5018 2.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -7.0976 0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -8.3636 2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8343 -7.5321 1.1604 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 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 17 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 35 28 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 17 79 1 6 18 80 1 0 18 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 6 29 93 1 6 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 35 99 1 6 36100 1 0 37101 1 0 38102 1 6 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 49117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 M END