HMDB0113727 RDKit 3D PE-NMe(24:0/24:1(15Z)) 170169 0 0 0 0 0 0 0 0999 V2000 -6.4433 5.4435 -2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9928 5.6681 -1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6489 4.6602 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2944 3.2590 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9212 2.2111 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 0.8827 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9973 -0.3109 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4366 -1.5336 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9508 -2.7431 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2322 -3.7069 0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7223 -3.7301 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 -4.9177 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8332 -5.1799 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6038 -6.2942 -1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 -6.7892 -1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -5.6900 -1.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 -6.2501 -2.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -5.3146 -2.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -4.6402 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -3.6791 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 -3.1436 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6342 -2.1327 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 -0.7835 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -0.0667 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 -0.7032 0.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0013 1.2076 -0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5551 1.7354 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 2.6352 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 2.3536 0.9005 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 3.2985 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 4.3175 1.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 3.3489 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 2.4592 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 2.5915 -1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 1.7326 -2.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 1.7936 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2423 1.0106 -4.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 1.0195 -6.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1878 0.3156 -5.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 -1.1310 -5.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9727 -1.7510 -5.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5414 -1.1693 -4.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 -1.5082 -2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -1.0584 -1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -1.5461 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 -1.2702 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -1.8172 1.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 -1.5670 3.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2645 -2.1636 3.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -2.0845 5.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -2.8591 5.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -2.8718 7.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -3.7343 7.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -5.1227 7.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 2.5548 1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 3.4838 0.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 4.5293 0.9086 P 0 0 0 0 0 5 0 0 0 0 0 0 6.9448 4.7286 -0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4545 3.8730 1.9336 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8057 6.0526 1.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 6.2657 1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 7.6280 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 7.8053 1.6351 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 7.8563 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6073 5.0312 -3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3320 4.7941 -2.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7190 6.4173 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3753 6.6556 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9037 5.6798 -1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 4.7721 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2948 4.9250 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 3.1443 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6108 3.0618 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4525 2.3448 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0109 2.3090 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8398 0.8116 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 0.8407 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0925 -0.3741 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 -0.2692 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3595 -1.4251 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8746 -1.4407 -1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0585 -2.9005 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7352 -4.5773 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -3.9870 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2743 -2.8200 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8196 -5.8178 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7164 -4.8422 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4707 -5.4711 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3268 -4.2431 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2899 -7.1586 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -5.9676 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -7.3302 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2531 -7.5744 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -5.0478 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7265 -5.1343 -2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 -6.9510 -2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -6.9301 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 -4.5588 -3.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 -5.8814 -2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 -4.1732 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1206 -5.4580 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -2.9051 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 -4.2881 -2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0289 -2.8630 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -4.0342 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 -2.5072 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3332 -1.9270 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 -0.1904 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.8327 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 0.9131 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 2.9346 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 3.6798 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 4.4326 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 3.2060 1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8804 1.4133 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 2.7526 -0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 2.3938 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 3.6539 -1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 0.7029 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 2.1836 -2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 1.5191 -3.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 2.8511 -4.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 0.0037 -4.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1834 1.5918 -4.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3635 2.0365 -6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 0.4320 -6.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 0.3367 -7.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 0.8258 -5.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 -1.3844 -4.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 -1.6584 -6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 -2.8540 -5.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7183 -1.5166 -6.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -0.1017 -4.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5155 -1.6603 -3.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -2.6039 -2.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 -1.0439 -3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0327 0.0210 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 -1.5029 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 -2.6598 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1604 -1.1848 -1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -1.6854 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -0.1706 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 -1.3245 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 -2.8975 1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 -0.4577 3.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -1.9924 3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 -3.2149 3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1684 -1.6180 3.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 -2.5541 5.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -1.0276 5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 -3.9378 5.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 -2.4679 5.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2943 -1.8605 7.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -3.3687 7.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -3.7978 8.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 -3.2009 7.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 -5.4139 6.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 -5.1978 6.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -5.8671 7.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 1.8532 1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 3.0887 2.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 3.9901 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0892 6.0844 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 5.5352 1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 8.4053 1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 7.7279 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 8.6047 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 6.8495 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 8.6077 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1557 8.2085 0.1996 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 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 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 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 27 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 19101 1 0 20102 1 0 20103 1 0 21104 1 0 21105 1 0 22106 1 0 22107 1 0 23108 1 0 23109 1 0 27110 1 0 28111 1 0 28112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 46141 1 0 46142 1 0 47143 1 0 47144 1 0 48145 1 0 48146 1 0 49147 1 0 49148 1 0 50149 1 0 50150 1 0 51151 1 0 51152 1 0 52153 1 0 52154 1 0 53155 1 0 53156 1 0 54157 1 0 54158 1 0 54159 1 0 55160 1 0 55161 1 0 59162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 64168 1 0 64169 1 0 64170 1 0 M END