HMDB0297736 RDKit 3D DG(PGE2/a-17:0/0:0) 118118 0 0 0 0 0 0 0 0999 V2000 13.9540 -3.9037 1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3674 -3.2241 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6598 -1.7617 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4136 -1.0477 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7626 0.4131 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5569 1.1757 1.1572 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1881 0.6350 2.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3757 0.9529 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1614 1.3194 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 1.1497 -0.2475 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1467 0.4582 -1.5482 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1578 0.8657 -2.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8742 -1.0123 -1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4964 -1.0826 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5751 -2.0239 0.9498 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9738 0.2882 0.5316 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5545 0.3382 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -0.5437 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7209 -0.1546 1.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2325 1.2344 1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 1.1923 1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 0.6127 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 0.5230 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 0.0514 -2.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 0.9293 -0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 0.8367 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 -0.4966 -0.6521 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8285 -1.7218 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -1.8353 -0.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -0.3890 -1.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 -0.4779 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 -0.6582 0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2612 -0.3548 -1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5598 -0.4123 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7684 0.6810 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7131 2.0376 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9414 3.1071 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2517 3.1260 1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4234 3.3048 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7077 3.3798 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2169 2.3201 1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5540 0.9736 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5358 0.1048 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0266 -1.2305 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0710 -1.4308 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4289 -0.8935 -0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1979 -2.9659 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2353 -3.3314 -1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3016 -4.9755 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4605 -3.4248 1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8384 -3.8976 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2217 -3.7389 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4994 -3.2872 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8644 -1.3331 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5286 -1.5607 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5527 -1.2218 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1577 -1.4355 1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 0.8738 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5404 0.4706 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7403 2.2424 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 -0.1983 2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5526 0.4733 -0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0256 1.7969 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5069 2.1643 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0959 0.6391 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9586 1.8341 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -1.4264 -1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7976 -1.6184 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0239 0.5152 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5543 -0.0133 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2705 1.3912 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0328 -1.6265 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 -0.8870 2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1738 1.5254 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 1.9569 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 2.2167 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 0.5577 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -0.4187 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 1.2429 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9556 1.1321 -1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 1.6334 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -0.6555 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -2.6076 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5214 -1.8501 -2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -1.5065 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 0.5959 -2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2523 -1.1859 -2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3608 -0.4292 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6199 -1.3914 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6721 0.5569 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9053 0.6497 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4021 2.0658 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6925 2.1833 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 3.0326 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7275 4.0991 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3668 2.1923 1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2540 4.0314 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2167 4.3543 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3680 2.6760 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6171 4.3078 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5486 3.7410 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1881 2.7197 2.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5793 2.2392 2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0007 0.4144 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4658 1.0449 0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8936 0.5705 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7771 -0.0955 1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2953 -1.7757 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1285 -1.8563 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6946 -1.1108 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6890 0.0233 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1590 -1.6545 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7743 -0.8644 0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5532 -3.3192 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2163 -3.4213 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4574 -2.5694 -2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8438 -4.2358 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2152 -3.6305 -1.3882 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 2 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 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 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 45 47 1 0 47 48 1 0 16 10 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 6 11 65 1 6 12 66 1 0 13 67 1 0 13 68 1 0 16 69 1 1 17 70 1 0 17 71 1 0 18 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 26 80 1 0 26 81 1 0 27 82 1 1 28 83 1 0 28 84 1 0 29 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 M END