HMDB0296499 RDKit 3D DG(21:0/PGF2alpha/0:0) 132132 0 0 0 0 0 0 0 0999 V2000 11.9080 3.2987 1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 2.5435 1.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8672 1.2149 2.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6335 0.1660 1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2144 -0.3547 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2683 0.6064 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8471 -0.0303 -1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4247 -0.5409 -1.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1284 -1.0836 -3.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7876 -1.6309 -3.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2814 -2.7860 -2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 -2.9582 -1.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4415 -2.1472 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9783 -1.8609 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6142 -1.0165 -1.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1361 0.3345 -1.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8142 1.5208 -1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7418 1.6730 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 1.4741 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6866 0.2365 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 0.5068 1.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2685 1.5545 2.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3641 -0.3973 1.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -0.3029 2.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 0.9470 1.9734 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8882 1.0405 2.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 2.2358 2.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 0.9547 0.5586 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 1.9738 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 2.9149 0.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 2.2013 -1.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7516 1.1902 -2.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1546 0.7643 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 0.1122 -1.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7606 0.5788 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3046 -0.1412 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7475 -0.4573 0.1475 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9291 -1.3041 -1.0602 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1005 -0.9912 -2.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7692 -2.7049 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0982 -2.6648 0.8918 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8787 -2.9776 1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4375 -1.2701 1.2379 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8786 -0.8991 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8655 -1.7188 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2965 -1.3021 0.7750 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.9044 -1.3888 2.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4363 -0.0147 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8029 0.5294 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5121 0.7718 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8870 1.3609 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6249 1.6152 2.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6690 3.2213 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6504 4.3895 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3341 3.0454 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8936 2.6691 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2485 3.1852 2.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2019 1.3340 3.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8097 0.7957 2.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6571 -0.7350 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7411 0.4148 1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9231 -1.1979 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1745 -0.7862 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3610 0.8532 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 1.5630 -0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5290 -0.8935 -2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9082 0.6892 -2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7784 0.3354 -1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 -1.2932 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9402 -1.8285 -3.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3517 -0.2425 -4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8427 -1.9712 -4.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0859 -0.7687 -3.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9951 -3.6604 -3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -3.1738 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6496 -4.0240 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 -3.2590 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5077 -2.7049 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9168 -1.1731 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 -2.8521 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 -1.4940 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -0.9615 -1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6021 -2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0809 0.6294 -2.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 0.2865 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 2.3689 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8252 1.9647 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 0.9736 0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 2.6940 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 1.8425 2.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 2.3640 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 -0.5225 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 -0.2471 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4732 -1.2049 2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 -0.3365 3.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0174 1.8619 2.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 1.1631 3.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 0.1496 2.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0218 2.5842 3.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 3.1292 -1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 2.5826 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 0.2800 -2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 1.6180 -3.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8305 1.6828 -2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4219 0.1259 -3.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2618 -0.8090 -1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2211 1.4990 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6894 -1.0198 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 0.6028 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2858 0.5137 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0065 -1.1969 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5678 -0.3425 -2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7611 -3.1098 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5030 -3.3938 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7843 -3.4509 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0407 -3.5024 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0032 -0.9317 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1092 0.1714 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5821 -2.7724 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8015 -2.0872 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3427 -2.2691 2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7683 0.7781 0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0136 -0.1809 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4065 -0.0719 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7303 1.5410 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9810 1.4683 1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7182 -0.1539 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4688 0.6246 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7071 2.3164 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6798 1.8591 1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5182 0.6916 2.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0876 2.4131 2.6440 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 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 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 43 37 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 0 24 95 1 0 25 96 1 6 26 97 1 0 26 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 6 38111 1 6 39112 1 0 40113 1 0 40114 1 0 41115 1 6 42116 1 0 43117 1 1 44118 1 0 45119 1 0 46120 1 6 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END