HMDB0284993 RDKit 3D PE(PGF2alpha/DiMe(9,3)) 131132 0 0 0 0 0 0 0 0999 V2000 1.9650 -2.5286 -9.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6515 -2.8006 -9.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -2.4679 -8.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 -1.0227 -8.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 -0.7127 -7.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 0.7360 -7.0861 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1701 0.9917 -6.4663 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 1.0135 -6.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 2.2084 -5.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 2.5288 -4.8385 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3874 3.5041 -3.8314 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7704 3.0791 -2.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 4.8532 -4.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6462 4.7144 -5.5004 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6885 5.6109 -5.5356 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1489 3.2521 -5.4670 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3565 3.2269 -4.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0519 2.0243 -4.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8564 0.7783 -4.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 -0.3265 -4.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8802 -1.3149 -3.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2245 -0.5196 -2.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3502 -1.4534 -1.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4072 -2.6954 -1.5842 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4543 -0.9342 -0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 -1.7112 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 -0.8548 1.0825 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9099 -0.0115 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 0.8922 0.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 1.8275 -0.4142 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1833 2.0232 0.1275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 3.3202 -0.6796 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 1.0509 -1.9115 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0736 0.2655 -1.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 -0.4671 -3.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -1.2555 -3.0702 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -1.5763 1.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5978 -1.4141 3.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -0.5197 3.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 -2.2123 4.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 -1.7039 5.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4739 -2.5466 6.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6055 -2.0719 7.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -2.8260 8.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 -2.6962 7.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 -3.3911 8.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 -3.2206 7.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -1.7764 7.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 -1.0501 6.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 0.2187 6.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0505 1.2587 5.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3247 1.5179 5.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4946 1.9833 5.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4646 0.2690 8.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9686 1.4780 8.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 -0.9931 8.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 -1.3172 10.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 -3.1687 -9.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -1.4551 -9.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 -2.6943 -8.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -3.8896 -10.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 -2.1853 -10.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4615 -2.5821 -9.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3346 -3.1215 -8.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -0.7921 -8.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -0.4168 -9.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4316 -0.9139 -8.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 -1.3735 -6.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 1.4303 -7.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 1.9240 -6.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9792 0.1750 -5.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4568 3.0493 -6.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3217 1.6106 -4.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 3.4422 -3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 3.7515 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5669 5.2319 -3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 5.5407 -4.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9878 4.8974 -6.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9977 5.7357 -4.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3026 2.9983 -6.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1441 3.9380 -5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1625 3.7827 -3.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9353 2.1645 -3.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0528 0.5443 -5.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1336 -0.8836 -4.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6025 0.0487 -3.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1539 -1.7136 -4.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4848 -2.1601 -2.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0192 -0.1112 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6108 0.3074 -2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2525 -2.2613 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0545 -2.4255 -0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2291 -0.1304 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 0.5586 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 -0.6555 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 3.8654 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 -0.4993 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 0.9066 -1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -1.1295 -3.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 0.2622 -4.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 -1.6012 -2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 -0.7982 -3.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 -2.2975 3.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 -3.2541 4.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -1.8843 5.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 -0.6385 5.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 -3.5855 6.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -2.4149 5.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9105 -0.9978 7.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 -2.1483 8.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 -3.8790 8.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -2.3377 9.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9297 -3.0926 6.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 -1.6032 7.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1117 -3.0885 9.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -4.4817 8.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2096 -3.6541 8.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4462 -3.7309 6.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2675 0.9420 4.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 2.2170 6.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 2.1731 4.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6441 0.5277 4.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7582 1.4337 6.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 1.8842 5.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3669 3.0655 6.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3692 1.6489 9.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.3852 8.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 1.3261 9.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -2.1740 10.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 -0.3943 10.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7219 -1.5635 10.1015 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 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 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 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 50 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 16 10 1 0 56 48 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 6 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 1 11 74 1 1 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 6 15 79 1 0 16 80 1 6 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 1 28 94 1 0 28 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 53125 1 0 55126 1 0 55127 1 0 55128 1 0 57129 1 0 57130 1 0 57131 1 0 M END