HMDB0297876 RDKit 3D DG(a-17:0/0:0/PGD1) 120120 0 0 0 0 0 0 0 0999 V2000 6.6578 5.4071 -2.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5428 6.0970 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6836 5.0502 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 5.5473 1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3004 6.1411 2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 5.2597 2.2324 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2722 4.1787 3.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 4.8170 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2123 3.5857 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8039 3.2306 -0.7267 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5310 2.0635 -1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7205 2.0289 -1.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6133 0.9058 -1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2294 1.5275 -1.4412 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8622 1.5899 -2.7785 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3395 2.8645 -0.7810 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6015 3.9068 -1.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 3.6719 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5315 3.5838 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 4.8202 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 4.9171 1.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 3.8327 2.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 2.5035 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1636 2.2791 2.3904 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 1.3843 2.4278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 0.1121 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 -0.9615 1.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3174 -2.2069 1.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 -0.9863 2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -2.0293 2.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 -2.3549 2.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 -1.5821 3.9547 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -3.3999 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1026 -4.4846 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 -4.2861 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 -3.3784 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -3.3867 -1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.4278 -1.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 -2.3139 -3.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -3.6567 -3.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 -4.2130 -2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9972 -3.2835 -2.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0762 -3.9010 -1.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5297 -5.2191 -2.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6032 -5.9354 -1.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8684 -7.2643 -2.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4546 -6.2528 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 -5.0553 0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9126 5.7903 -2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 5.5706 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 4.3210 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 6.6293 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3497 6.8785 -0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7265 4.6339 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 4.2175 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9062 4.7160 2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 6.3355 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 7.0866 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 6.5183 3.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 5.8109 2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 3.7672 2.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 5.5051 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1551 2.9313 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9797 4.1147 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 0.2813 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 0.3380 -2.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 0.8787 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 1.7484 -3.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 2.7463 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 4.9447 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9671 3.9402 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 2.7576 -2.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 4.5582 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 3.6160 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 2.6357 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6532 5.6808 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0994 4.9765 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 4.9496 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 5.8975 2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 4.1372 3.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 3.8018 2.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 0.1869 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -0.1012 3.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 -0.8395 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 -2.7727 2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -1.1156 3.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -0.0086 2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 -2.9211 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 -3.8927 3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 -5.3378 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 -5.0448 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.8894 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 -5.2878 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 -3.5836 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -2.3211 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -4.3868 -1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3204 -2.9986 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5622 -2.5607 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -1.4084 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 -1.5271 -3.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 -2.0414 -3.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -4.3468 -3.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0807 -3.5059 -4.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 -5.1493 -3.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -4.5549 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 -3.2137 -3.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -2.2811 -2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8644 -3.1417 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -4.0873 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6589 -5.9577 -2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8329 -5.1534 -3.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 -5.3633 -1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9255 -7.5112 -2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -7.1362 -3.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2778 -8.0775 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3371 -6.8789 0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5848 -6.9676 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3414 -4.9808 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0922 -5.1831 1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6077 -4.0953 0.2072 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 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 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 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 45 47 1 0 47 48 1 0 16 10 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 6 13 65 1 0 13 66 1 0 14 67 1 1 15 68 1 0 16 69 1 1 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 26 82 1 0 26 83 1 0 27 84 1 6 28 85 1 0 29 86 1 0 29 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END