HMDB0113121 RDKit 3D PE-NMe(18:1(11Z)/20:1(11Z)) 138137 0 0 0 0 0 0 0 0999 V2000 13.2125 6.6495 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0107 5.3724 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2018 4.2109 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0354 2.9742 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3982 1.7346 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0697 1.5054 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5034 0.2707 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3465 0.1996 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4618 1.3611 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 1.0055 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1628 2.1343 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 1.7833 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 0.5710 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9416 0.1925 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 -0.0890 -1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1331 -0.4984 -2.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 -1.7493 -1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -1.5880 -0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 -0.5091 -0.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 -2.6115 0.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9687 -2.6323 1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 -2.5729 1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9782 -3.7927 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4947 -4.9526 1.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -6.2997 0.2601 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2433 -6.3186 -1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 -6.3432 0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -7.6629 1.1247 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -8.6473 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -9.8481 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 -10.2856 1.8542 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -11.4301 2.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 -1.4347 0.7338 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 -0.6896 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 -1.0833 2.4653 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 0.5190 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 0.9713 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 2.2014 -1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 1.9170 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 0.7874 -2.5722 C 0 0 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0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 22 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M END