HMDB0256856 RDKit 3D Prostaglandin I3 55 56 0 0 0 0 0 0 0 0999 V2000 8.7180 -0.3884 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 -1.1970 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3970 -1.0301 0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0408 -0.2417 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6496 0.0011 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 -0.7291 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 -2.0956 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 -0.4005 -0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 0.3423 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1016 0.6435 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 2.1421 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 2.8420 -0.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 2.4864 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 1.2389 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 0.9828 1.7936 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2351 0.1412 0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 -0.3469 0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 -1.2142 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2754 -0.6774 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3753 -0.4822 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5637 0.0387 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6119 1.2320 -0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6302 -0.7903 -0.6353 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2713 -0.1010 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 0.0935 0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5141 0.6860 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7731 -0.5851 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 -0.7499 -1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9717 -0.8098 1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1573 -2.2600 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6595 -1.5462 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 0.2806 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4763 -0.1893 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4558 1.1044 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -0.4925 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 -2.6217 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 -0.7966 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7842 0.7019 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 0.2085 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 2.4558 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 3.7585 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 2.8511 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 3.2840 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6108 1.2583 2.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0471 -0.0823 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -1.3311 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 -2.2329 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0832 0.2387 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6202 -1.4496 -1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1048 0.2616 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -1.4286 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5733 -1.6274 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 0.5804 -1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 -1.1386 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 -0.8182 1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 16 24 1 0 24 25 1 0 25 10 1 0 25 14 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 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 23 52 1 0 24 53 1 0 24 54 1 0 25 55 1 0 M END