HMDB0302741 RDKit 3D Neric acid 28 27 0 0 0 0 0 0 0 0999 V2000 3.7443 0.7218 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 0.0621 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -1.2612 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.6992 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 0.1598 0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 0.0743 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 -0.4422 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 -1.8323 0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 0.1971 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 1.5041 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 1.9922 -0.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5238 2.3357 -0.9612 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 0.3862 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7379 0.4800 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 1.8183 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -2.0329 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -1.3766 0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 -1.4646 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.6871 -0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3213 -0.8408 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 0.8570 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -0.6838 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 0.9963 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 -2.5192 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 -1.7914 1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1181 -2.2076 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1201 -0.3349 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 2.8159 -1.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 12 28 1 0 M END