HMDB0114071 RDKit 3D PE-NMe2(18:2(9Z,12Z)/18:1(11Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -2.6025 -7.8511 7.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -6.9793 6.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 -6.0372 7.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -5.1857 6.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4986 -4.2925 5.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 -3.4386 6.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4991 -2.1443 6.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -1.1671 5.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 -1.6107 5.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 -1.3675 3.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0532 -0.6318 3.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 -1.2631 1.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 -1.8204 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 -2.9629 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 -3.2969 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 -4.4412 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 -4.7779 -1.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 -3.5997 -2.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 -3.3344 -1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 -2.7918 -3.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 -1.7084 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0235 -0.8567 -4.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 -1.4922 -6.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 -2.5734 -6.1365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 -3.2651 -7.6650 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3466 -2.3292 -8.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1743 -3.4900 -7.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6796 -4.6997 -7.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 -5.5685 -6.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -6.8563 -6.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -7.7727 -5.7614 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -8.9912 -5.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 -7.1842 -4.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 -0.3629 -4.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 0.9043 -3.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4687 1.7643 -3.9566 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 1.3237 -3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 2.6411 -2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 3.1562 -2.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 4.4469 -1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 4.1444 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 5.3573 0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 4.9753 1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 5.9779 2.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 6.6913 3.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 7.5236 2.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 7.4841 2.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 6.5017 3.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 5.6531 2.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4507 6.5102 1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2422 5.8813 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1785 4.7709 1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 3.5170 1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 -8.8776 6.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 -7.5284 7.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4223 -7.8917 8.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8656 -7.6454 6.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 -6.4477 5.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 -6.6933 8.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5972 -5.4722 8.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 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50 1 0 50 51 1 0 51 52 1 0 52 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 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 27 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 33100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END