HMDB0114467 RDKit 3D PE-NMe2(22:2(13Z,16Z)/14:1(9Z)) 133132 0 0 0 0 0 0 0 0999 V2000 1.0480 -1.9892 -12.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4065 -0.9012 -11.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 -1.3497 -10.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7009 -0.3250 -9.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -0.8865 -9.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -1.1450 -8.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 -0.9305 -7.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 0.0424 -6.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 0.1383 -4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 1.0984 -4.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 1.2892 -2.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 1.7677 -2.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.9711 -2.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 1.6836 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2924 2.6831 -3.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 1.2858 -1.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 1.9883 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1532 2.3963 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 3.2983 0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 3.7237 2.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2938 3.1945 2.6852 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 4.6245 2.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 5.2092 2.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 4.1477 1.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 4.9515 1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 4.4011 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 3.4288 1.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4048 2.0985 1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1727 1.0948 2.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 1.4801 4.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 1.6409 4.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 1.9703 6.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 2.1428 6.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 1.4230 7.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 0.2980 8.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 -0.9993 8.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1804 -1.8484 9.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 -1.6708 10.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 -1.6905 11.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -0.5846 10.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1672 -0.6513 11.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 0.4508 10.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1086 0.9542 -1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 0.5468 -2.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3039 -0.5885 -3.0492 P 0 0 0 0 0 5 0 0 0 0 0 0 5.8872 -0.9647 -1.6783 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 0.0529 -3.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -1.9622 -3.7649 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -2.8486 -2.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -4.1018 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 -5.0654 -2.2467 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 -4.6792 -1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4943 -5.6094 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 -2.3872 -11.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 -1.5568 -13.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -2.8375 -12.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0437 -0.6923 -10.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 0.0340 -11.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 -2.2413 -10.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5748 -1.5919 -11.6817 H 0 0 0 0 0 0 0 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1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 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 0 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 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 47123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 52128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END