HMDB0264751 RDKit 3D PA(PGF2alpha/20:1(11Z)) 132132 0 0 0 0 0 0 0 0999 V2000 15.1291 1.4127 4.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9781 1.7473 3.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2917 0.4583 3.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1579 0.7562 2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4961 -0.5168 1.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5174 -1.3726 1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1308 -0.6644 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2574 -0.2412 -1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6147 -1.3082 -1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3433 -1.5046 -1.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 -0.6805 -1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4121 -0.0105 -2.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8352 -1.0274 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9318 -0.5208 -4.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5923 -0.0209 -4.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 1.0497 -3.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9218 1.4384 -3.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3858 2.0128 -4.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 2.3674 -4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 1.2081 -3.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6553 0.4723 -4.8834 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 0.8398 -2.6658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 -0.3017 -2.4691 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5162 0.0340 -1.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4095 0.5641 -0.5367 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5602 0.9300 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6351 0.7729 -0.4515 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 1.4572 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 1.7275 2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 0.4649 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0391 0.6662 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1201 0.3942 2.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4985 0.5542 2.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2698 -0.7432 2.5265 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6438 -1.8318 3.3794 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5812 -1.3874 4.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7459 -2.8931 3.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0535 -2.1094 3.1214 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.9741 -2.3803 4.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6374 -0.6423 3.1809 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.5362 0.2424 2.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6933 -0.0928 1.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5558 0.8854 1.1266 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.0688 2.1564 1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8201 0.4510 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5984 0.2757 -1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7736 1.5194 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5678 1.1874 -2.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7033 2.4154 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5081 -1.3805 -1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4064 -2.4234 -1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -3.7218 -0.6492 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9806 -4.6625 -0.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -4.5320 -1.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 -3.2454 0.8636 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8036 0.6856 4.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7000 2.3143 5.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7722 0.9557 5.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3095 2.4283 4.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 2.2189 2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9962 -0.2863 3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8662 0.0328 4.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.3851 2.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5198 1.3491 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1874 -1.1065 2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6788 -0.2936 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2553 -1.8238 1.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9151 -2.2388 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9105 -1.3590 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7283 0.2347 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9299 0.3188 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5591 0.5572 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3547 -2.0059 -2.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0680 -2.3882 -2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6218 0.0741 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5605 -1.3381 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 0.6635 -2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.6450 -3.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6982 -1.5791 -3.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3371 -1.8383 -2.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4877 0.2598 -5.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7797 -1.3410 -5.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 -0.8845 -3.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 0.3429 -5.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 1.9076 -3.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5628 0.6027 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 0.5244 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 2.1731 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 1.3748 -5.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 2.9946 -4.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 3.0845 -3.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 2.9043 -5.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -0.7371 -3.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1326 -0.8690 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 0.7900 -2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 0.6700 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 2.4201 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 2.1254 3.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 2.4586 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1764 -0.3038 2.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8016 -0.0438 1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1716 1.0369 3.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9426 0.0245 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5286 0.9889 3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0168 1.2814 1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4191 -1.1151 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6954 -2.2022 2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1936 -1.9102 5.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5479 -3.5704 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7596 -3.4292 4.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3859 -2.3310 2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6206 -3.0643 3.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5463 -0.3897 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2374 1.2816 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0173 -1.1284 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5459 0.8466 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5027 2.6696 2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4443 1.2263 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3476 -0.5215 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9707 0.0140 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9879 -0.5950 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3171 2.3362 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3966 1.9272 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9533 0.3870 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9923 0.8586 -3.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3453 3.2991 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 2.3227 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4299 2.4799 -3.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 -1.6952 -2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 -0.9740 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 -5.0723 -2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -3.2870 1.5657 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 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 40 34 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 6 35107 1 6 36108 1 0 37109 1 0 37110 1 0 38111 1 6 39112 1 0 40113 1 1 41114 1 0 42115 1 0 43116 1 1 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 54131 1 0 55132 1 0 M END