HMDB0013122 RDKit 3D LysoPC(P-18:0/0:0) 88 87 0 0 0 0 0 0 0 0999 V2000 10.7056 -0.1943 2.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5294 0.1166 1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3059 1.5601 1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1302 2.1965 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9800 1.9124 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8329 0.5200 -1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 0.4006 -2.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3694 0.8196 -1.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9345 0.0691 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6957 -1.3841 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 -1.7552 -1.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2808 -1.2355 -1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 -1.7337 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 -1.1797 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -1.7113 1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4903 -1.1966 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4997 0.2706 1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 0.9278 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 0.2652 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 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69 1 0 20 70 1 0 20 71 1 0 21 72 1 1 22 73 1 0 23 74 1 0 23 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 32 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 34 88 1 0 M CHG 2 27 -1 31 1 M END