HMDB0263296 RDKit 3D PA(16:0/PGF2alpha) 122122 0 0 0 0 0 0 0 0999 V2000 -14.4540 -1.3224 2.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4027 -0.6915 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0387 -1.0504 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8869 -0.4765 -0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9985 1.0131 -0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9775 1.7266 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5455 1.4003 -0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2880 1.7733 -2.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9506 1.4605 -2.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7205 2.0457 -1.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2815 1.9057 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8959 2.6155 -0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3904 2.5398 0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 1.1284 1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2732 0.3169 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8799 0.8082 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5341 1.8369 1.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8657 0.1703 -0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 0.6870 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 -0.2513 -1.0624 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1667 -1.6773 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7997 -2.4938 -1.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 -4.1240 -1.0942 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7335 -4.5970 -1.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 -5.0366 -2.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 -4.3935 0.4523 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 0.1015 -1.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 0.3928 -2.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6529 0.3286 -3.3819 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 0.7664 -2.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6223 -0.4224 -2.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -1.5051 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 -0.8903 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 -0.7840 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -0.1827 2.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 0.3070 2.1125 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1909 0.9197 3.5088 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0561 1.6322 3.8942 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4047 -0.2843 4.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2899 -1.1772 3.5482 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0021 -2.5175 3.8056 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9949 -0.8089 2.1022 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2668 -0.5705 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 0.5099 0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0164 0.6500 0.1335 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9816 0.9865 1.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4217 -0.5859 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7334 -0.5028 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9267 -0.2102 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2051 -0.1875 -1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9985 0.9017 -2.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9691 -2.3069 2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9813 -0.6672 3.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5161 -1.4747 2.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5121 0.3946 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2100 -1.1382 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9867 -2.1622 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2298 -0.7741 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7337 -0.8814 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9074 -0.7859 -1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9451 1.3428 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0060 1.3377 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0405 1.4023 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1768 2.8069 -0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9201 1.8892 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4472 0.2977 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6344 2.8168 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0188 1.1490 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9392 1.6506 -3.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8470 0.3126 -2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8647 1.5998 -2.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6295 3.1476 -2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2021 0.8677 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8462 2.4629 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2128 2.1583 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0315 3.6744 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2042 2.9864 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4439 3.0901 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 0.5601 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8451 1.0936 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 -0.7115 0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6249 0.1298 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2157 0.6752 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 1.7032 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1151 -0.2367 -2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7575 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 -1.9900 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -4.6323 -3.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 -4.6310 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 1.5343 -3.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 1.2207 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 -0.8826 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6728 -0.1596 -2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 -2.3020 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 -1.9115 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 -0.5044 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -1.1753 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 0.7118 2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4324 -0.8837 2.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1511 1.1019 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1086 1.5434 3.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3494 2.5388 4.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -0.8051 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9532 -0.0304 5.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3428 -0.9484 3.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.7521 4.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 -1.7258 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 -1.4174 1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 1.3652 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9649 1.4913 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0064 0.2089 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5234 -1.4280 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6587 -0.9365 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6511 0.3538 -2.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9150 -1.4328 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9070 0.8422 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0154 -0.9295 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0237 0.0591 -0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3406 -1.1906 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4137 0.4514 -3.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9581 1.3219 -2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4006 1.7054 -1.8554 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 2 0 16 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 23 26 1 0 20 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 42 36 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 19 83 1 0 19 84 1 0 20 85 1 6 21 86 1 0 21 87 1 0 25 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 6 37101 1 6 38102 1 0 39103 1 0 39104 1 0 40105 1 1 41106 1 0 42107 1 6 43108 1 0 44109 1 0 45110 1 6 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 51122 1 0 M END