HMDB0112966 RDKit 3D PE-NMe(16:1(9Z)/20:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 13.2334 1.5371 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0731 0.1114 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3123 -0.6840 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3066 -2.0842 -1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2468 -3.0074 -1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 -3.3192 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5623 -2.2482 1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 -2.3170 1.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 -3.4042 1.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1283 -2.8493 1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5524 -1.7850 1.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2376 -1.2593 1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2242 -2.3483 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 -1.7336 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -2.8341 0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 -2.3572 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 -3.2279 -0.3208 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -1.0243 -0.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 -0.7279 -0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 0.7385 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 1.3840 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 1.2877 0.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 2.0012 2.4231 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3753 0.9231 3.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 2.7656 2.7776 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 3.1489 2.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5404 2.7785 1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 3.9355 2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 5.1443 1.4907 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 5.6785 2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 0.8147 -1.5742 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 1.3994 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 1.9556 -3.4553 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 1.3981 -3.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 0.1084 -2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2894 -0.0663 -3.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4132 0.7127 -2.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4724 2.1708 -2.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8204 2.7272 -2.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9693 2.4288 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2618 2.9700 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4258 2.3468 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3968 0.8895 -0.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3491 0.2224 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5725 0.7485 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6089 0.4251 1.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5477 -1.0417 2.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6948 -1.8313 1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0183 -1.3776 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1288 -2.1941 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1964 -2.0806 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3642 -2.9345 -0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6709 1.4272 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 2.0123 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 2.1568 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1555 -0.3579 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0345 0.1746 -2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6084 -0.5496 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1960 -0.1940 -1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3209 -2.5166 -1.3357 H 0 0 0 0 0 0 0 0 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48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 30 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END