HMDB0009257 RDKit 3D PE(20:1(11Z)/18:1(9Z)) 135134 0 0 0 0 0 0 0 0999 V2000 13.8239 5.7202 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0646 4.3379 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7379 3.6540 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7745 2.2822 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6378 1.3060 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2633 1.0922 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9330 0.6412 -1.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3640 -0.6527 -1.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1871 -0.7796 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 -0.9356 0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6937 -1.0057 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0439 -2.3406 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7024 -2.5971 1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5411 -2.0301 2.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1303 -0.6399 2.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4944 -0.0491 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 -0.7616 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -0.0841 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -0.7134 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3489 -0.5305 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 -1.3590 1.0696 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 0.5835 0.1863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 0.9230 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4036 -0.1021 1.3614 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1365 -0.3382 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1841 -0.6453 -0.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 -0.9646 -2.3959 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3488 -0.4536 -2.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.1527 -3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -2.6230 -2.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 -3.1387 -3.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 -4.6270 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 -4.8586 -4.4435 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 0.2087 2.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5672 -0.6839 3.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9235 -1.7986 3.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 -0.4315 4.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 -1.1113 4.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7664 -0.8739 3.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4633 -1.2152 2.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6743 -0.8537 1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0037 0.5949 1.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1998 0.9512 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4228 0.2467 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0468 -0.5448 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6332 -0.8331 -1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5916 -0.5286 -2.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0385 0.8465 -2.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8012 1.4354 -1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0339 0.5839 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8000 1.1567 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2227 2.5663 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0035 3.0385 0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7132 6.0186 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9575 5.6199 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5709 6.4564 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5027 4.4570 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7618 3.8248 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1937 3.6760 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1033 4.2736 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1895 2.3357 1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7257 1.9386 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8805 0.4491 0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6617 1.8494 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4361 2.0914 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0871 0.4547 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9024 0.6983 -3.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2074 1.5014 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4113 -0.8374 -2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 -1.5200 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0698 -0.7645 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0148 -1.0218 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -0.1981 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -0.7564 -1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 -3.1841 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1579 -2.4182 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6143 -3.7527 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 -2.4357 2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 -2.7109 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5482 -2.3627 3.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 0.0374 2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3841 -0.4379 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 0.9962 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0605 0.0820 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3761 -1.8308 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 -0.6602 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 0.9711 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -0.0895 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8035 -0.1798 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -1.7671 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 1.9543 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 1.0033 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 -1.0827 1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -1.2821 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 0.5084 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 -0.6100 -4.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 -3.0564 -2.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 -2.7078 -4.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7823 -5.1505 -3.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 -5.1232 -2.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -3.9956 -4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -5.6484 -4.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 0.6779 4.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 -0.7788 5.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2963 -0.9245 5.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 -2.2293 4.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6895 -1.4748 3.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 0.1893 3.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6069 -0.7589 1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3417 -2.3262 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3545 -1.1084 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4865 -1.5210 1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1774 1.2333 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2964 0.9339 2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9229 1.0109 -0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3913 2.0426 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8032 0.4181 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9687 -1.0314 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5087 -1.9896 -1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5794 -0.5257 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1385 -0.8933 -3.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4759 -1.2575 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6479 0.9425 -3.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1538 1.5291 -2.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1484 2.4718 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2519 1.6207 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7116 0.6217 -2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8045 -0.4786 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7199 0.5170 -0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1859 1.1397 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3387 3.2588 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8199 2.6589 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7834 3.7517 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3386 3.5779 1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4689 2.1778 1.2810 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 1 0 8 9 1 0 9 10 2 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 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 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 2 0 45 46 1 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 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 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 1 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 M END