HMDB0010400 RDKit 3D LysoPC(22:2(13Z,16Z)/0:0) 97 96 0 0 0 0 0 0 0 0999 V2000 12.9645 -0.3468 4.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5473 -0.8479 4.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6907 -0.2481 3.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2478 -0.6964 1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3896 -0.1001 0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9495 -0.5443 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2973 -1.2384 -1.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -1.6956 -1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 -1.1211 -2.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -0.3124 -2.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5596 0.1010 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2088 -0.2316 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 0.2717 -1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 -0.0604 -2.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 0.4587 -3.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.0271 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 -0.0587 -1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -0.5529 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 0.3522 -1.9953 C 0 0 0 0 0 0 0 0 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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 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 25 79 1 0 25 80 1 0 26 81 1 1 27 82 1 0 28 83 1 0 28 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 37 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 39 97 1 0 M CHG 2 32 -1 36 1 M END