HMDB0009270 RDKit 3D PE(20:1(11Z)/22:0) 149148 0 0 0 0 0 0 0 0999 V2000 -4.1411 6.4004 4.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 7.2905 3.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0279 6.5348 2.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9723 7.5008 2.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 6.7970 1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4073 6.0853 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 5.3838 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3597 4.3412 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3892 3.6019 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 3.5962 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2946 4.2695 1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9057 3.2689 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6289 3.9474 3.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1595 3.0512 4.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 2.2842 5.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 1.2727 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4994 -0.0597 4.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 -0.4857 3.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4729 -0.1844 2.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 -0.8857 1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0107 -0.9175 1.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8478 -1.4577 0.7176 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2561 -2.1345 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -2.6768 -1.2297 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3842 -3.7024 -2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0864 -3.1062 -3.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4871 -4.3107 -4.4550 P 0 0 0 0 0 5 0 0 0 0 0 0 6.9787 -3.6488 -5.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6972 -5.3435 -3.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 -5.2239 -4.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 -5.8750 -6.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.6441 -6.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 -7.3612 -7.4846 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2221 -1.6493 -1.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 -1.3033 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 -1.9807 -0.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 -0.2075 -1.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 0.3268 -1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 -0.4726 -1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3088 -1.6948 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 -2.3360 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -2.9436 -1.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7094 -2.3986 -2.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 -1.3412 -2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 0.0113 -2.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 1.0685 -2.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6078 1.0521 -1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 -0.1923 -1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6741 0.0488 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5083 -1.1151 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1565 -1.8823 -1.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3477 -2.6084 -2.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3886 -3.6079 -1.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1478 -4.6391 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2338 -5.6255 -0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2487 -4.9752 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3945 -6.0980 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0544 7.0032 4.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 5.5301 3.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8276 6.0448 5.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 7.7931 4.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5669 8.0492 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 6.1075 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5936 5.7196 3.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4494 8.3431 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 7.9035 3.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 7.5750 1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6099 6.1018 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 6.8492 -0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 5.3690 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 4.9132 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 6.1209 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5368 3.6225 0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 4.7986 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 3.0233 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 2.9950 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 5.0163 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 4.8637 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5805 2.6425 1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 2.5971 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 4.8457 3.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 4.4361 2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 3.7723 5.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 2.4515 3.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0064 1.7669 5.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8263 3.0509 5.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 1.6791 4.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8152 1.0589 5.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 -0.5664 4.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 -0.7222 5.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9733 -1.6350 3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -0.2018 2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 0.8721 2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1062 -0.5856 3.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7595 -1.3656 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -2.9737 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 -3.1813 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 -4.4672 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 -4.2284 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2539 -6.0859 -3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 -5.2133 -6.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0192 -6.6391 -5.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 -7.3514 -5.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 -5.9328 -6.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -8.1463 -7.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5937 -6.6925 -8.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 -0.4175 -2.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 0.6525 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 1.2422 -1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 0.8635 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 0.2477 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5054 -0.6353 -2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3648 -2.5165 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1006 -1.6109 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 -3.1789 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 -1.6491 0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1297 -3.6725 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 -3.8273 -1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 -2.0583 -3.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0698 -3.3163 -3.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -1.7354 -2.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -1.2192 -4.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 0.4121 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2014 -0.1005 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 2.0740 -2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8294 1.1402 -3.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2774 1.3064 -0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3008 1.9395 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6856 -0.4599 -2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8616 -0.9496 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2596 0.8370 -1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3076 0.5147 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3724 -0.7657 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9798 -1.8225 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8670 -2.6240 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7847 -1.1408 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1210 -3.3152 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9504 -2.0602 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5721 -3.1652 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9201 -4.1641 -2.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8017 -5.2060 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7889 -4.1916 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6464 -6.1434 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8205 -6.3987 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5474 -4.3086 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8165 -4.4663 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 -6.7208 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9836 -6.6732 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5246 -5.6270 1.6138 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 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 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 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 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 57149 1 0 M END