HMDB0260768 RDKit 3D PE(14:1(9Z)/PGD1) 122122 0 0 0 0 0 0 0 0999 V2000 -15.1210 3.7180 -0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2581 2.4121 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4255 1.3371 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9524 1.7539 -0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4591 1.9824 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4730 1.3015 1.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7476 0.2358 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2447 0.6153 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4977 -0.4480 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0757 -0.2285 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0631 -0.1450 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1901 0.8635 1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 0.9499 2.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 1.4052 1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 1.5928 0.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 1.6206 2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 2.0438 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 1.1262 1.0743 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1894 0.5828 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 -0.1442 -0.8653 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 -0.7639 -2.2990 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2540 0.3629 -3.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 -1.7240 -3.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -1.7378 -2.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -2.8671 -1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 -3.7137 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0177 -3.0003 -0.3206 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 0.1015 1.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 0.1513 2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 1.1629 2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 -0.8911 3.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 -1.9929 2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 -1.6958 2.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 -1.0794 0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 -0.7432 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 -0.1399 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 0.3461 -1.2567 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9602 1.4525 -0.2622 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8579 1.9938 0.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 0.8666 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -0.5662 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2199 -1.4789 1.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7144 -0.6393 -1.0980 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9707 -0.1052 -1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5495 -0.7775 -2.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7946 -0.2965 -3.3372 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5919 0.9697 -3.8697 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 -0.1973 -2.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0104 -1.5507 -1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9998 -1.7208 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8210 -0.9306 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9133 0.5620 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4462 4.4031 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7519 3.5371 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1082 4.2051 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3221 2.0969 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0070 2.5748 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7171 1.2735 -1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5641 0.3793 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3526 1.0774 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9340 2.7416 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9571 2.7741 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1970 1.5761 2.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1388 -0.1271 -0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7350 -0.6444 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2689 1.5414 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9183 0.8269 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9901 -0.5820 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6798 -1.4598 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6692 -1.0382 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9104 0.7046 -1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9788 -1.1905 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0579 -0.1241 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3529 1.8616 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0606 0.5955 2.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1834 1.6569 3.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8322 -0.0596 2.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 2.4432 2.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 3.0212 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 1.7416 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -0.2002 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 1.3617 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.4378 -3.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3362 -2.5759 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9988 -3.4029 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -4.5711 -0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 -4.1189 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -2.5273 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 -2.2504 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 -1.3959 3.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -0.4351 4.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 -2.7636 3.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -2.5716 2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2426 -2.7023 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 -1.1134 2.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -1.8854 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0354 -0.2544 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -1.7580 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -0.0843 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 0.6259 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 -0.9582 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 0.7899 -2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 2.2964 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 2.2549 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9019 1.3692 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5246 1.0149 1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 -1.6319 -1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4138 0.8281 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 -1.7279 -3.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1377 -1.0336 -4.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3545 1.5622 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7607 0.2175 -2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3587 0.4670 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2549 -2.3276 -2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0204 -1.9290 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0474 -1.5505 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0310 -2.8236 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5971 -1.2377 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8560 -1.1620 1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3697 0.8865 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9168 1.0259 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5986 0.9912 1.3548 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 2 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 2 0 14 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 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 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 38 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 43 37 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 0 17 79 1 0 18 80 1 6 19 81 1 0 19 82 1 0 23 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 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 36100 1 0 36101 1 0 37102 1 6 38103 1 6 39104 1 0 40105 1 0 40106 1 0 43107 1 6 44108 1 0 45109 1 0 46110 1 6 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 52122 1 0 M END