HMDB0002236 RDKit 3D 8-iso-PGA1 56 56 0 0 0 0 0 0 0 0999 V2000 6.3121 0.9842 -1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 0.6151 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 -0.4237 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.8458 0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 0.2828 1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 0.9357 1.2816 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4223 1.9836 2.1615 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -0.0308 1.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 -0.8946 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 -1.8605 0.4581 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7127 -1.7881 1.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 -2.1059 1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 -2.4083 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -3.1710 -0.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7999 -1.5935 -0.7211 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1061 -0.1498 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9758 0.4568 -1.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 -0.0077 -1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 0.1160 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 1.5720 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4116 1.4920 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6836 0.8962 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2154 1.4943 -0.5535 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2497 -0.2436 0.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1127 0.3522 -2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 0.9443 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 2.0730 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8715 0.1796 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.4922 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0233 -0.0692 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2975 -1.2941 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -1.6690 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 -1.2404 1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8077 1.0065 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -0.1384 2.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 1.2829 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 2.5215 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 -0.0409 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 -0.9208 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -2.9151 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5205 -1.5253 2.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 -2.1612 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -1.9556 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 0.4352 -0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 0.0511 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 0.4499 -2.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 1.5705 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 -1.0125 -2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 0.6449 -2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 -0.4386 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3155 -0.1536 -1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8563 2.2031 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4816 1.8840 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6575 2.5013 1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0069 0.8387 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7668 -0.2017 1.8586 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 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 15 10 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 6 7 37 1 0 8 38 1 0 9 39 1 0 10 40 1 6 11 41 1 0 12 42 1 0 15 43 1 6 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 24 56 1 0 M END