HMDB0002995 RDKit 3D 12-Keto-tetrahydro-leukotriene B4 58 57 0 0 0 0 0 0 0 0999 V2000 8.4210 1.4799 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5247 1.9173 1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1057 1.2948 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 -0.1766 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -1.0163 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1777 -1.0480 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 0.1608 -0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 -0.0247 -2.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.8245 -2.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 -0.9680 -3.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -1.4736 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -1.9284 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4219 -0.8082 -1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4655 -0.5517 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 0.5543 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 0.7886 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6638 -0.0334 1.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9207 0.3407 2.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1414 0.1555 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9545 -0.2973 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4315 -0.1910 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8790 1.1856 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0651 2.1414 0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2314 1.4751 1.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9314 0.5410 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1672 2.2690 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 1.2917 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8707 1.5926 2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 3.0107 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 1.7041 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6181 1.7688 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8156 -0.5384 1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 -0.4749 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 -2.0829 1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -0.8280 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 -1.4670 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4741 -1.9284 -0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 0.9177 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0073 0.7652 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 1.0211 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -0.3817 -2.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -2.4835 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.8788 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 -2.7041 -1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8408 -2.4280 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2345 -0.2037 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6381 -1.1724 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 1.1708 -1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 1.6347 -0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5713 -1.1220 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 -0.1358 2.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2678 1.2020 1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3241 -0.4749 2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6824 0.3444 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6964 -1.3372 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6944 -0.7989 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0099 -0.6390 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8223 0.6936 1.2354 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 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 17 50 1 6 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 24 58 1 0 M END