HMDB0113009 RDKit 3D PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 118117 0 0 0 0 0 0 0 0999 V2000 -1.0052 -12.0445 2.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 -11.2997 3.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 -10.1148 3.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -8.9175 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 -8.5840 3.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 -7.8628 4.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 -6.6357 4.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -5.8494 3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 -4.6803 3.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 -3.4334 3.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 -2.8694 3.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5801 -3.6317 3.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -3.5980 2.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2811 -2.7979 1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 -1.9223 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4435 -0.6547 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 0.1644 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 0.9898 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 1.8445 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 2.6724 -1.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 2.6037 -2.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 3.4875 -2.4335 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0105 4.2155 -3.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 3.7850 -4.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 4.0606 -5.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0623 3.8027 -4.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 3.2118 -3.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 4.2059 -5.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 3.9375 -3.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8288 4.2595 -4.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 4.0414 -3.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7121 2.6709 -2.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 2.3060 -1.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2308 0.9214 -1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9321 0.2262 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2598 -0.0334 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8684 0.3449 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 -0.8033 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -0.2101 1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4704 -1.2950 1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 5.6689 -3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 6.0984 -2.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 7.7289 -1.8099 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9047 8.2409 -0.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 8.6627 -3.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 7.8177 -1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 8.3380 -1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9013 8.3320 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 8.8529 -1.9931 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8925 10.2557 -2.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 -11.7797 2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 -11.8146 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -13.1297 2.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -11.2107 3.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7568 -11.9952 4.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 -10.2604 4.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4706 -8.0349 4.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2562 -9.4959 3.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -8.0656 2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 -8.4032 5.8230 H 0 0 0 0 0 0 0 0 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0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 23 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 45110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 50116 1 0 50117 1 0 50118 1 0 M END