HMDB0284958 RDKit 3D PE(DiMe(9,3)/20:3(5Z,8Z,11Z)-O(14R,15S)) 127128 0 0 0 0 0 0 0 0999 V2000 12.0451 3.0542 -3.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2281 3.7301 -2.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2738 3.2325 -1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8674 3.4913 -2.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8326 3.0285 -0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8890 1.5711 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7109 0.6122 -1.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 0.8135 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2103 -0.1867 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -1.2171 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9168 -1.4885 1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7779 -0.7614 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 -1.6981 3.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4312 -1.6869 4.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3059 -0.8061 4.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0987 0.3797 3.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 0.5651 3.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9836 -0.4288 2.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.2187 3.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5868 -0.7979 3.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 -1.1671 1.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 -0.4799 0.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6363 -2.3027 1.4922 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 -2.5957 0.1532 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9557 -2.8872 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9024 -1.8924 -0.0919 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 -1.2747 1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -1.6048 2.1306 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3902 -0.2122 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 1.0341 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 2.0885 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 1.8780 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0917 0.6921 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3606 0.8934 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2314 -0.3195 -0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4982 -0.1825 -1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3169 0.9763 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4605 2.0949 -1.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2502 2.9234 -1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6633 4.2885 -1.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8922 5.3189 -0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3143 6.7289 -1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6666 2.2928 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5829 2.8552 0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0763 1.0508 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1939 0.0014 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.7884 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 -3.9747 -1.6218 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9386 -5.2127 -2.3362 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1737 -5.4880 -1.5108 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -4.7317 -3.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 -6.6500 -2.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -6.7831 -1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 -8.0574 -1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 -7.9437 -2.5044 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6748 3.7647 -4.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3533 2.1970 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0163 2.6532 -4.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2909 3.6463 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0282 4.8063 -2.7533 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74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 6 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 42112 1 0 44113 1 0 44114 1 0 44115 1 0 46116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 51121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 M END