HMDB0009643 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:0) 134133 0 0 0 0 0 0 0 0999 V2000 -2.1203 5.5125 -2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8078 4.1816 -2.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 3.6886 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6044 2.3565 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 1.7875 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4602 0.5238 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9857 -0.6274 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 -0.8343 1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 -1.4069 2.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 -2.5694 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -3.5766 2.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 -3.5018 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -3.5352 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0303 -3.6473 1.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 -4.9159 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -5.1283 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -4.2201 1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 -2.8001 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6048 -1.9327 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 -2.2545 -0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 -1.7641 -2.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 -2.2899 -2.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 -1.9145 -4.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -3.1416 -2.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 -3.6567 -2.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 -2.7390 -3.2679 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6151 -3.5756 -3.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -4.3809 -4.7359 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8394 -5.2675 -5.0391 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7773 -6.6540 -4.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 -5.3593 -6.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 -4.4250 -4.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -5.2648 -3.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -4.4179 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7598 -3.9103 -3.9322 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9975 -1.8669 -4.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1685 -0.9234 -4.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 0.3522 -4.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 0.8939 -3.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5147 1.5939 -2.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 2.1413 -1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 2.8771 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 2.0629 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 0.9178 1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 0.9892 1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1693 1.6999 3.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1089 3.1204 3.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 4.0128 3.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 5.4110 3.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 5.4345 5.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 5.0045 5.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 5.0857 7.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5733 4.6668 8.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2535 4.7450 9.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 6.2780 -2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 5.7821 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 5.5081 -3.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8346 4.2160 -2.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 3.4538 -2.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 4.4187 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 3.6772 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 1.6630 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 2.5246 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 2.5617 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 1.7968 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4884 0.5668 -0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6475 -1.5244 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3005 0.2409 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 -1.2848 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 -0.7389 3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 -2.8112 4.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 -4.5900 2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -3.9453 2.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1209 -3.4410 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1214 -3.4816 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 -2.7600 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -3.4898 2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.8554 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2807 -6.2422 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 -4.5197 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 -4.5435 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -2.2572 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -0.8337 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4896 -3.3889 -1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -1.9424 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9738 -0.6290 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8161 -1.9924 -2.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -4.5216 -2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 -4.1673 -3.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 -2.0897 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 -2.9242 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -4.2187 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8364 -6.0217 -6.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2136 -5.6466 -2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2427 -6.1307 -4.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6125 -5.0369 -2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4617 -3.6012 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1262 -3.2935 -4.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 -3.3611 -3.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 -1.2512 -5.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 1.0298 -5.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 1.6654 -4.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 0.1179 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 0.7910 -1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 2.3819 -2.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 1.2992 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 2.8363 -2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 3.7161 -0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 3.3454 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 2.6564 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 1.5823 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 0.3629 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 0.1412 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0447 1.2022 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 -0.1248 2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 1.1813 3.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 1.3462 3.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 3.2108 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 3.6279 3.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9031 4.2521 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 3.6497 3.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 5.6898 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 6.0578 3.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 6.5293 5.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 4.9633 5.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 5.6998 5.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0366 3.9909 5.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 4.4362 7.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 6.1298 7.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3686 5.4167 8.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9047 3.6640 7.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 3.7728 10.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 5.0200 9.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 5.5673 10.2343 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 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 1 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 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 1 27 91 1 0 27 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 37100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END