HMDB0008853 RDKit 3D PE(14:0/P-18:1(9Z)) 118117 0 0 0 0 0 0 0 0999 V2000 14.4835 0.7674 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0734 2.1173 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6136 2.3304 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 1.2192 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3897 1.1589 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 0.0324 0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5097 -0.1824 0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8931 -0.7396 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 -1.9171 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8097 -1.6296 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 -0.2114 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 0.5818 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 1.9927 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 2.1623 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 2.0944 -1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 1.5689 -1.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9828 0.2047 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -0.4990 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7977 -0.1781 0.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 -1.3009 0.8574 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1935 -1.1885 1.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -0.0817 1.4461 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 -0.4081 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 -1.5269 -0.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 0.4865 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9646 1.7598 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 2.0223 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1081 0.7129 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2916 0.3855 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3006 1.4355 -0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9704 1.8064 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9574 2.9729 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7001 2.5034 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4519 1.2780 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7124 1.0852 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8140 1.9729 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5911 3.3882 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4457 -2.5888 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 -3.5390 0.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 -4.2982 -1.1440 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1383 -3.5935 -1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 -3.6918 -2.2419 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2485 -5.8802 -1.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -6.4329 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 -7.0795 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1961 -7.6760 1.0978 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5971 0.6414 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0853 0.5918 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1092 -0.0587 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9608 2.0688 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6995 2.9024 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2503 3.3305 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6541 2.2874 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 0.2065 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0307 1.2405 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8194 2.0500 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2405 0.7345 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1357 0.3814 1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4802 -0.9113 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0635 0.9386 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 -0.5919 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7864 -1.2546 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 -0.1944 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 -2.7888 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.2886 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 0.3149 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 -0.4070 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 0.0518 1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8838 0.5538 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 2.5731 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 2.4785 1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 1.6503 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1001 3.3044 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2395 3.0481 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 1.3877 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.2129 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 1.5978 -2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6735 -0.3234 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 -1.5849 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 -0.9848 -0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -0.8607 2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 -2.0618 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5663 -0.0117 -0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 0.9410 -1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 2.5988 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9984 1.4497 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 2.0478 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 2.8366 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 0.9606 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4142 -0.0856 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0781 -0.0682 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8079 -0.4874 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8880 2.4043 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9852 1.0890 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 2.3215 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4352 1.0406 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2917 3.8097 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5583 3.2158 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3247 3.4099 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9322 2.5525 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7769 0.4174 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6040 0.8826 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9745 0.0039 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4740 1.3519 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7593 1.9437 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7922 1.5278 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5469 3.6924 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8178 3.4820 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4154 4.1046 -0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 -2.9352 1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -2.8390 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -4.1289 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 -7.3165 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 -5.7661 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 -6.1131 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8557 -7.6204 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 -7.7054 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -8.6394 1.2266 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 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 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 20 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 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 18 79 1 0 20 80 1 6 21 81 1 0 21 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 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 37109 1 0 38110 1 0 38111 1 0 42112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 M END