HMDB0242014 RDKit 3D N-Docosahexaenoyl Glycine 63 62 0 0 0 0 0 0 0 0999 V2000 10.7957 -0.4292 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8295 0.6985 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7347 0.1504 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5116 0.6391 -1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3949 0.0626 -2.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7099 -1.0139 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -0.9813 -1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 0.0843 -1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9594 0.6090 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 0.5782 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 0.0717 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 1.1829 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6303 1.1913 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 0.1755 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 0.7781 1.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9795 0.9849 2.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 0.7280 1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4346 0.1689 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9229 -0.9826 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4747 -1.9544 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9025 -2.2402 0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8081 -1.0932 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3387 0.0271 0.9963 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1806 -1.1664 0.4096 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0000 0.0133 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5129 1.0496 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5226 0.8767 -1.2639 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2162 2.2312 -0.5946 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9690 -0.5394 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4221 -1.3964 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7395 -0.2016 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 1.0843 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3202 1.5240 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1276 -0.6477 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1139 1.4398 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.4106 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 0.8297 -2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3429 -1.9057 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 -1.8480 -0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 0.9297 -2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -0.3159 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7267 1.0334 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 1.0075 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -0.7051 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -0.4158 -1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 2.0763 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2325 2.0969 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 -0.2542 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 -0.6876 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 1.1009 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 1.4801 3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 1.7104 1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8969 0.0527 2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0867 0.8370 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 -1.2701 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 -1.7375 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8709 -2.9170 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2971 -2.9746 1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -2.7825 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6088 -2.0772 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0371 -0.2119 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9720 0.5069 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8265 3.1491 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 28 63 1 0 M END