HMDB0266576 RDKit 3D PA(PGE1/2:0) 80 80 0 0 0 0 0 0 0 0999 V2000 -7.8732 -0.9876 -1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6533 -0.4390 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0961 0.0615 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3548 -0.7872 2.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0016 -1.2872 2.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3431 -2.0019 1.0711 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0568 -2.4100 1.6109 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 -0.9025 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8933 -1.1127 -0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 -0.1823 -1.7204 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8792 1.2022 -1.7050 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7943 1.8045 -2.9552 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 1.9550 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 0.8688 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0245 0.8129 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 0.0188 -1.2397 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1139 0.7295 -2.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 0.9453 -2.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9044 1.5416 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 0.6633 0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 1.4339 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 1.9861 1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 0.9003 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 -0.0763 1.5831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 0.9326 -0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 0.0298 -0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8435 0.0277 0.1531 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9081 -0.9595 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2437 -0.7104 -1.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4197 -1.8535 -2.1033 P 0 0 0 0 0 5 0 0 0 0 0 0 9.1343 -3.1323 -1.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4330 -2.1201 -3.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9302 -1.2630 -1.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 -0.2925 1.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 0.5567 2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5746 0.2025 3.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4472 1.6539 2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5995 -1.2179 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3457 -1.9307 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1767 -0.2141 -1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2867 0.4167 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5293 -1.1504 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9783 0.5241 1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5194 1.0583 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 -1.7403 2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4485 -0.3121 3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8313 -1.9031 3.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 -0.3772 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7763 -2.8345 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1177 -3.4013 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4236 0.0150 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 -2.1097 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 -0.6237 -2.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9901 1.2112 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 2.7736 -2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 2.7475 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 2.4050 0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 -0.9619 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 1.7258 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2572 0.1330 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -0.0590 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 1.5077 -3.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 2.4697 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 1.9954 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9863 0.0191 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 -0.1021 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 2.3089 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 0.8073 2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 2.7088 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 2.4808 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 0.1653 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1499 -0.9956 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3021 1.0666 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -0.7875 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5228 -1.9691 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3021 -1.7785 -4.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8206 -0.6599 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 0.8321 4.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8723 -0.8442 4.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 0.3902 4.2537 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 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 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 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 1 0 35 37 2 0 16 10 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 6 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 6 11 54 1 1 12 55 1 0 13 56 1 0 13 57 1 0 16 58 1 1 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 26 71 1 0 26 72 1 0 27 73 1 1 28 74 1 0 28 75 1 0 32 76 1 0 33 77 1 0 36 78 1 0 36 79 1 0 36 80 1 0 M END