HMDB0283746 RDKit 3D PE(22:0/PGJ2) 143143 0 0 0 0 0 0 0 0999 V2000 -16.8359 1.6423 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9323 0.9280 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2647 -0.3934 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8085 -0.4671 -1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2345 0.0106 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6987 -0.2144 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0939 0.2510 1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5864 0.0350 1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2413 -1.4181 1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7701 -1.6461 1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1378 -0.8986 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6631 -1.1519 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0449 -0.4200 -1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2332 1.0591 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6404 1.8886 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2181 1.7801 -2.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1893 2.0998 -1.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1782 1.2037 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 1.5992 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 0.7093 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7873 -0.7411 1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5561 -1.0210 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 -0.8816 -0.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -1.4466 1.5376 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 -1.7329 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4202 -0.5822 0.1942 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4161 -1.1057 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -0.1542 -1.7853 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -0.5852 -3.0454 P 0 0 0 0 0 5 0 0 0 0 0 0 5.9693 0.1259 -2.9516 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 0.0493 -4.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 -2.1975 -3.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6518 -2.8854 -2.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 -4.3351 -2.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 -4.3585 -4.2038 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 0.4757 0.9597 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 1.7785 0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5902 1.9667 -0.1293 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8154 2.9475 1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 3.9275 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1455 3.5112 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2344 2.3230 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 1.2367 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5476 1.1745 1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0696 0.9201 1.4485 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6380 0.8975 2.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7505 -0.3449 3.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2832 -1.2733 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 -2.4745 2.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 -0.4575 0.9545 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4120 -0.7636 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3189 0.1247 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5046 -0.1812 -1.0414 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1338 0.9262 -1.5222 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3058 -1.3371 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9510 -1.6132 0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9613 -0.8462 1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7737 0.4649 1.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4439 1.6724 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5598 1.0292 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1943 2.5488 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8568 2.1051 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5681 1.6120 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0273 0.7444 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5644 -0.8267 -2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7761 -1.0692 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4657 -1.5411 -1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3103 0.1205 -1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3766 1.1189 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6873 -0.4454 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5246 -1.2858 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2982 0.3527 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2441 1.3344 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5556 -0.2593 2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1930 0.4074 2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1876 0.6478 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6738 -1.9976 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 -1.8434 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5109 -2.7146 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3122 -1.2771 2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2488 0.2026 0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6824 -1.0972 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 -0.8109 1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4793 -2.2463 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0124 -0.7432 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6122 -0.7642 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1724 1.4433 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3892 1.1831 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8955 2.9718 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 1.7309 -2.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 2.4492 -3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9547 0.7385 -2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2498 3.1792 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1787 1.9827 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 0.1480 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0535 1.3038 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 2.6308 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 1.5101 0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9281 0.8225 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 0.9960 2.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6529 -1.1576 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 -1.3103 2.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -2.3039 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -2.4787 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -0.1285 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 -1.3576 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 -2.0309 -1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -0.1845 -4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6591 -2.4178 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2601 -3.0076 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 -4.7542 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3244 -4.8829 -2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9399 -3.4734 -4.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8045 -4.5968 -4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1807 2.5484 2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 3.4491 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 4.3229 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 4.8476 1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 4.3857 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7364 3.5678 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 2.3396 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8814 0.3815 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 0.1830 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3371 1.9028 2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4823 1.7327 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9158 1.7689 3.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1341 -0.6988 4.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3351 -0.7491 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5222 -1.8076 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2176 1.1354 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9778 -0.5641 -2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5471 1.5816 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7326 -2.3174 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1466 -1.4151 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4460 -2.6802 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1494 -1.9660 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9132 -0.8030 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -1.5605 2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0199 0.3360 2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7416 0.7207 2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3531 1.8261 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9872 1.7709 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7272 2.6244 1.7150 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 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 1 0 18 19 1 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 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 50 45 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 6 46126 1 0 47127 1 0 50128 1 6 51129 1 0 52130 1 0 53131 1 6 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 M END