HMDB0009740 RDKit 3D PE(24:0/24:1(15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 19.9597 -2.5877 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1960 -2.5689 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1613 -1.1960 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4703 -0.2105 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4710 1.1080 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0208 2.3132 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6689 2.4785 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3385 1.5766 -1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9785 1.8116 -2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0244 0.9078 -2.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2263 -0.4230 -1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2211 -0.6614 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 -0.6525 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8543 -0.8377 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4080 -0.9159 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7615 0.2048 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 0.0311 -1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8564 -1.1644 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 -1.3811 -2.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4425 -1.4974 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 -0.3770 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 0.8424 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 0.6744 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2781 0.4716 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 0.5451 1.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0839 0.1805 -0.3614 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 0.0118 0.8463 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5690 -1.3094 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -1.6163 2.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 -2.6655 2.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2175 -3.4993 1.6253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 -2.8029 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -1.5645 4.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5987 -0.3586 4.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9476 -0.5999 4.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 0.5365 4.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3548 0.7796 3.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1657 -0.4289 3.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9245 -0.3008 1.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8832 0.9036 1.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7501 0.7576 3.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7401 -0.3134 3.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9574 -0.2810 2.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0026 -0.2416 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3817 -1.3482 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6118 -1.0712 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0489 -1.0482 -1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1209 -0.7591 -3.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5174 -0.7520 -3.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4048 0.2597 -3.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7963 0.1950 -3.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7688 1.1498 -3.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0069 0.9560 -1.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5603 -0.4147 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8773 1.1690 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 2.3128 0.6699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1011 3.6605 0.5144 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2185 4.8954 0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3402 3.6524 1.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 3.7011 -1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 3.3911 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3317 3.4605 -2.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 2.5257 -3.4588 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8339 -1.9178 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2979 -2.2743 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3227 -3.6246 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1874 -2.9721 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6918 -3.2474 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1746 -0.8215 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5877 -1.2537 1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 -0.2793 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4389 -0.6493 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5477 1.2920 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9008 1.0157 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2805 3.2476 0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7688 2.4864 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9438 2.3042 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4436 3.5624 -0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0183 1.9611 -2.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6486 0.5671 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7802 2.8127 -2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0388 1.1778 -2.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2014 -0.6235 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9157 -1.1672 -2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4751 -1.6700 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3223 0.1133 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6611 0.2424 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7434 -1.5427 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -0.0688 0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1244 -1.8072 0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9026 -0.9365 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 -1.9274 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8844 1.1383 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2943 0.3853 -1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9067 0.9624 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8109 -0.0072 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3457 -1.0863 -2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2976 -2.1190 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0842 -0.5377 -2.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -2.2707 -2.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 -2.3818 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -1.8441 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 -0.8098 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8131 -0.1188 0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 1.6335 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 1.2582 -1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9151 1.6651 -1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -0.1114 -2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 0.1038 1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8873 -2.0878 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4077 -1.2309 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 -3.0629 4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 -3.6515 4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 -1.3017 4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6948 -1.6773 5.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0956 0.5176 4.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7076 -0.2571 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -0.7584 6.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3969 -1.5553 4.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 1.4753 5.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7761 0.3955 5.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8799 1.7317 3.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4309 0.8673 2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8028 -0.7600 3.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4224 -1.2654 2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4069 -1.2331 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2071 -0.0407 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4732 0.8789 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3008 1.8150 1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3278 1.7464 3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1408 0.8208 4.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0698 -0.3767 4.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2835 -1.3428 2.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5356 0.6496 2.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6536 -1.1184 2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7564 0.7699 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1287 -0.3051 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2871 -1.4337 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9018 -2.2872 0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1130 -0.0779 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0506 -1.7953 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6998 -0.3844 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4687 -2.0898 -1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5106 -1.4788 -3.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6875 0.2545 -3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9874 -1.7610 -3.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4559 -0.4286 -4.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5437 -0.0471 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9533 1.2460 -3.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1767 -0.8348 -3.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6853 0.5056 -4.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4732 2.2093 -3.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7530 0.9942 -3.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1306 1.1114 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7721 1.7346 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6635 -0.4835 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3834 -0.6045 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0103 -1.1655 -1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 1.1653 1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 1.0881 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6317 4.5795 1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6352 4.2055 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3129 2.4668 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 3.4306 -2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9848 4.4830 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 1.6451 -2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 2.9430 -3.8721 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 22105 1 0 22106 1 0 23107 1 0 23108 1 0 27109 1 1 28110 1 0 28111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 54158 1 0 55159 1 0 55160 1 0 59161 1 0 61162 1 0 61163 1 0 62164 1 0 62165 1 0 63166 1 0 63167 1 0 M END