HMDB0004385 RDKit 3D Lipoxin A4 57 56 0 0 0 0 0 0 0 0999 V2000 -8.2887 0.4251 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4488 0.6868 1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1699 0.2320 2.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0514 1.0590 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 0.7775 2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 1.6347 1.6466 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9990 2.9449 1.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6282 1.2259 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 0.8649 -0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 0.4899 -1.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 0.0993 -2.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4314 -0.0422 -2.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.1587 -2.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -0.1379 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 -0.6446 -2.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 -0.5877 -1.6815 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5848 0.5567 -0.8735 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 -1.8060 -0.9144 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8935 -2.9225 -1.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 -1.6268 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3387 -1.2500 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -1.1105 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 -0.0323 1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 0.7609 0.9814 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9265 0.1720 2.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3177 0.3285 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7738 1.3234 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6617 -0.4716 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3313 0.1312 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5544 1.7790 1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1966 0.2666 3.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0529 -0.8471 2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0525 0.7565 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2731 2.1381 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 0.8816 3.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4653 -0.3172 2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6256 1.4438 2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3773 3.3854 2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5704 1.2300 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6312 0.8719 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7869 0.5406 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1672 -0.1365 -3.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2426 -0.8599 -3.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 0.5534 -0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 0.2406 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -1.0646 -3.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1891 -0.4468 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 0.4538 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 -1.9968 -0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2273 -2.7197 -2.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 -2.6827 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 -1.0632 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2628 -0.2714 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6066 -2.0259 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -2.0538 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3774 -0.7979 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9447 0.1052 2.2887 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 1 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 16 47 1 6 17 48 1 0 18 49 1 1 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 25 57 1 0 M END