HMDB0011351 RDKit 3D PE(P-16:0/20:3(8Z,11Z,14Z)) 126125 0 0 0 0 0 0 0 0999 V2000 8.3729 1.8956 4.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1812 2.0222 5.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 2.0763 4.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 2.2033 5.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 2.3207 4.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 3.5193 3.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 3.6082 2.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 2.4743 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 2.3253 0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3463 1.2851 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 0.0700 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 -0.1432 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4997 -1.2150 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8143 -2.3087 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 -2.4016 -1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 -3.4197 -2.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8373 -3.5800 -2.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 -2.4703 -3.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 -1.2765 -2.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -1.6689 -1.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 -2.8404 -2.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9377 -0.8128 -1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 -1.2559 -0.3371 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2933 -0.2560 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 -0.0765 -1.8347 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 -1.0832 -2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 -1.2364 -2.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 -0.3160 -2.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3006 -1.0286 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1921 -2.1086 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2635 -1.8270 -2.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9342 -1.4191 -3.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2194 -1.2275 -4.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1355 -0.1836 -4.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3651 1.1565 -4.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1940 2.2343 -3.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5834 3.5681 -3.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2078 4.3365 -4.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2454 3.9682 -5.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8278 3.7886 -5.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4285 2.7041 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -1.4508 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 -1.8853 1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -2.1629 3.4457 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1821 -3.5358 3.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0172 -2.1227 3.7079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 -1.0504 4.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 -1.4880 4.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3596 -0.4400 5.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 0.7959 4.9312 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1024 1.2072 4.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0715 1.5581 3.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 2.9107 4.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 1.1759 5.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1914 2.9730 5.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8447 2.8416 3.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 1.0176 3.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 3.0284 6.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 1.2703 5.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 2.3934 5.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 1.3616 4.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 4.4737 4.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 4.6035 2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 2.7374 1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 1.5388 2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6931 3.1771 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 1.2463 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 0.2558 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 -0.7701 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4078 0.6562 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5972 -1.3252 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0518 -3.3042 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 -2.2378 0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 -1.3649 -1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 -2.6376 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9718 -3.4502 -2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3892 -4.4430 -1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 -4.4796 -3.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1256 -3.9562 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9626 -2.0827 -4.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 -2.8153 -4.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 -0.5200 -3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 -0.8139 -2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -2.2675 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 -0.5150 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.7606 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 -1.7416 -3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 -2.0354 -3.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 0.4126 -2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 0.3555 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 -1.3894 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9072 -0.2161 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5897 -3.0244 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6857 -2.5227 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9514 -2.7319 -2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9853 -1.0380 -2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4368 -2.3041 -4.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2543 -0.5925 -3.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9008 -0.9891 -5.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 -2.2161 -4.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0440 -0.0573 -4.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4897 -0.3417 -3.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4638 0.9131 -3.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0835 1.2897 -5.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6723 1.9401 -2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1227 2.3460 -4.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3713 4.2751 -2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7699 3.6444 -2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8986 5.3912 -4.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1706 4.6921 -5.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5626 3.0860 -6.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3000 4.8043 -6.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 4.7716 -4.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2125 3.6459 -6.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9004 2.7744 -3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 2.7203 -4.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 1.7118 -4.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -2.2408 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 -0.5244 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -2.7208 4.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -2.4186 5.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 -1.6620 3.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -0.1828 6.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3089 -0.7939 6.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 1.5747 5.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 0.6699 4.1491 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 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 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 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 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 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 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 6 24 85 1 0 24 86 1 0 26 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 46120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 M END