HMDB0011407 RDKit 3D PE(P-18:1(11Z)/18:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -12.6909 5.0325 -0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0388 3.8648 -1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1197 2.5740 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7908 2.3171 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8097 1.0807 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1580 -0.1213 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1706 -0.2912 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4221 -1.3336 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4365 -2.5137 -0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9907 -2.6513 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6844 -1.3861 0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2856 -1.4578 1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3208 -1.6149 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8628 -1.6637 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4405 -0.4353 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6327 0.8297 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9528 1.1262 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 0.6090 -1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -0.4401 -0.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0276 -0.0809 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 -1.1624 0.4663 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7102 -2.2724 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 -2.9085 0.6284 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2963 -4.2070 1.6081 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5436 -4.8470 1.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 -3.5644 3.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -5.3585 1.6924 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -5.8141 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -6.8422 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0396 -7.9577 1.3585 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 -0.5466 1.1284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 -0.5160 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3295 -1.0727 -0.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.1262 1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 1.0415 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 0.3876 -0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 1.4864 -1.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0633 0.9021 -2.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 -0.1534 -2.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 0.3784 -1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 1.4854 -2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1646 2.0073 -1.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1110 0.8883 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5186 0.4872 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1232 1.0570 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4281 1.5682 1.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9755 2.5873 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2587 3.1761 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0844 3.8643 2.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3989 4.4600 2.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6388 5.3138 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3502 5.8762 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9097 4.7718 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9988 3.9976 -2.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2591 3.7233 -2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8858 2.6780 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3924 1.7889 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5614 3.2316 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9803 2.2494 -1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5435 1.1974 1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7839 0.9776 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3388 -1.0167 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1845 0.1076 -0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0566 0.5349 -2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7158 -1.3154 -2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0320 -2.3466 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7214 -3.4458 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3244 -2.7558 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9823 -3.5434 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4108 -1.1897 1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6780 -0.5364 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0567 -0.5933 1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1885 -2.3888 1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -2.6615 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5035 -0.9319 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2633 -2.0217 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 -2.4873 1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 -0.6104 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0279 -0.3919 2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7397 1.0162 0.4304 H 0 0 0 0 0 0 0 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-1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3119 1.8505 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7801 2.2869 -1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2484 0.4295 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 1.7354 -3.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -0.9729 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4632 -0.5606 -3.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -0.4586 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0303 0.7248 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2473 1.0941 -3.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 2.3394 -2.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8715 2.5171 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6197 2.7929 -2.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5065 0.3510 -2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2239 -0.3575 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7658 0.2375 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 1.8212 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2205 2.0394 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1057 0.7164 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2222 3.3520 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2023 2.1075 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6743 3.9142 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0482 2.3989 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3190 4.6489 2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8274 3.0906 2.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2574 3.8457 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4577 5.4853 2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3791 4.5575 3.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 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 2 0 44 45 1 0 45 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 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 20 84 1 0 20 85 1 0 21 86 1 6 22 87 1 0 22 88 1 0 26 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 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 50128 1 0 M END