HMDB0001403 RDKit 3D Prostaglandin D2 57 57 0 0 0 0 0 0 0 0999 V2000 8.2171 1.8590 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9489 1.0768 0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 -0.0486 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 -0.9026 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 -0.1206 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 -1.0192 0.1523 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2307 -2.0519 -0.8096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9246 -0.2425 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8019 -0.6940 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4845 0.0110 0.5074 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3664 1.0738 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 2.2353 -0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 0.4448 -1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8509 -0.9973 -1.5375 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5090 -1.7171 -2.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 -0.9037 -0.1984 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8299 -0.1319 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 -0.9689 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 -1.3636 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3094 -1.0300 1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6455 -0.2600 1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4708 0.9937 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7082 1.7780 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7693 1.4175 0.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7117 2.9515 -0.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9798 1.1871 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0399 2.7495 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6487 2.2445 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 0.7168 1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 1.7988 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 0.4105 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8045 -0.6539 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 -1.6938 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -1.3907 1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.3147 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 0.7056 0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 -1.5138 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 -1.6825 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 0.6955 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 -1.6330 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.4005 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 0.9581 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3346 0.5310 -2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 -1.4514 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 -2.1893 -3.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 -1.8596 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0675 0.1786 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 0.7892 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -1.2879 -1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6459 -1.9961 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6394 -0.3733 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4487 -1.9380 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3852 -0.9635 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 0.0252 2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 1.6143 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1574 0.6706 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5516 3.2467 -1.0770 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 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 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 16 10 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 1 13 42 1 0 13 43 1 0 14 44 1 1 15 45 1 0 16 46 1 1 17 47 1 0 17 48 1 0 18 49 1 0 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