HMDB0261233 RDKit 3D PE(TXB2/18:1(11Z)) 135135 0 0 0 0 0 0 0 0999 V2000 -14.5496 0.0014 -3.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3752 1.5058 -3.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5262 1.9057 -1.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1983 1.1958 -2.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2544 1.5024 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8674 1.0629 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1477 -0.3762 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6161 -1.2084 1.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6775 -0.8634 2.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3842 -1.6487 2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3844 -1.3445 3.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9964 0.1008 3.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3467 0.5990 2.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0753 -0.2010 1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 0.2591 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 1.7171 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0743 2.0118 1.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7755 1.3032 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 1.2685 2.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2651 0.6500 0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 0.0089 0.7505 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0350 0.6980 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 0.0530 0.0198 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 -0.0595 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 0.4809 2.2269 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 -0.7384 1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 -1.1548 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 -1.8581 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1932 -1.0142 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4185 -0.7048 0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 -1.1554 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4647 -0.0345 -1.3514 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3358 0.8754 -1.7638 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5887 1.2620 -0.6317 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9554 2.1093 -2.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3363 1.7802 -2.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8168 2.9364 -3.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2282 1.4019 -1.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5938 0.7827 -0.8276 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5572 0.0500 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8518 -0.0201 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8372 -0.7618 0.4347 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1000 -2.0222 -0.1429 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1494 -0.0959 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1574 1.2318 1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4624 2.3467 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0766 2.6621 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5314 3.0768 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -1.3971 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 -2.0937 0.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 -3.6846 0.4163 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9583 -4.6655 1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9501 -3.9451 -0.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -3.9615 -0.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -3.2781 -1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -3.5814 -1.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 -3.1120 -0.9742 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.4792 -0.2652 -3.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5093 -0.3235 -1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6717 -0.4284 -3.5864 H 0 0 0 0 0 0 0 0 0 0 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1.8422 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5304 3.5353 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6186 3.6418 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2182 2.2079 -0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7621 3.7673 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 -1.3465 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 -1.8421 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4506 -4.7834 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0732 -3.6080 -2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6936 -2.1978 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -3.1359 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -4.6910 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6797 -2.4921 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5937 -3.9354 -0.5079 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 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 39 32 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 1 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 6 33105 1 6 34106 1 0 35107 1 0 35108 1 0 36109 1 0 37110 1 0 39111 1 1 40112 1 0 41113 1 0 42114 1 1 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 53129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 M END