HMDB0056239 RDKit 3D DG(20:3n9/0:0/20:2n6) 122121 0 0 0 0 0 0 0 0999 V2000 16.0536 -1.0545 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6045 0.2968 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7095 1.3806 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6225 1.7939 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6470 0.7138 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5520 1.1970 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 1.1700 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8193 0.7029 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9349 -0.4369 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4846 -1.2033 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7129 -1.1733 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5147 -1.0174 2.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 0.1826 2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0169 0.4092 1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -0.7389 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5204 -0.6064 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 0.4093 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 1.8498 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 2.5507 -0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3004 1.9547 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 2.3884 0.9521 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 0.9479 -0.7046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 0.2875 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 1.1579 0.1778 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5155 2.1362 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9365 0.2820 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -0.6675 -0.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 -1.5955 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8714 -1.5860 0.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 -2.5991 -1.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1527 -1.8903 -2.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3943 -1.1146 -3.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5538 -1.9985 -3.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6196 -1.9541 -2.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8283 -0.9711 -1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1190 -1.7542 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1925 -1.6483 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3348 -0.8053 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4889 0.2046 -0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3662 0.2240 -1.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3473 -0.8268 -1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7911 -0.3632 -1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9890 0.1833 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4054 0.6357 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6933 1.2020 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4688 0.1711 2.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7830 0.7581 3.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2019 1.2153 3.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1277 -1.3180 -0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0374 -1.4019 0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8171 -1.7859 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1151 0.6052 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4380 0.2172 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2699 1.0620 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3603 2.2555 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0897 2.2037 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1126 2.7031 -0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3146 0.1294 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1924 -0.0357 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8015 1.5812 2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5753 1.5915 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2207 1.5923 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6415 0.6155 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5846 -0.7016 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8054 -2.0422 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1263 -2.2549 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5283 -0.5701 2.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8561 -1.1349 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 -1.9513 2.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3252 1.0712 2.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8935 0.1992 3.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7267 0.7157 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3737 1.3278 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3053 -0.8053 1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 -1.7225 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3547 -0.5413 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0335 -1.6201 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 0.1436 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 0.3164 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6151 2.3015 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 2.1083 0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 3.6342 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3962 2.2798 -2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 -0.5341 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 -0.2536 0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9903 1.6740 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1646 2.1400 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8241 0.9469 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -0.1643 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7872 -3.3648 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 -3.1078 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 -2.5929 -3.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2881 -1.1846 -3.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -0.2191 -2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 -0.6480 -4.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -2.7672 -4.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4119 -2.6881 -2.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4693 -0.1704 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8047 -0.4805 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3439 -2.4780 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2484 -2.3438 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3005 -1.4479 0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4899 -0.3208 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8516 1.1151 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4051 1.0679 -2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2365 -1.1191 -3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2531 -1.7555 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4322 -1.2602 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0569 0.3489 -2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2598 1.0023 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7565 -0.6652 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6763 1.3939 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0526 -0.2814 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7076 1.6551 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9507 2.0424 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4015 -0.1490 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0837 -0.7209 1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6284 -0.0598 4.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0396 1.5499 3.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8289 0.5726 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5255 1.1732 4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3526 2.2587 3.1808 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 2 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 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 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 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 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 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 6 25 87 1 0 26 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END