HMDB0249645 RDKit 3D Carboprost methyl 65 65 0 0 0 0 0 0 0 0999 V2000 -7.8378 -0.8215 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2586 0.5648 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0067 0.8077 1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9146 -0.1412 1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2825 -0.2542 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5369 0.9381 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 2.1963 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1324 0.5826 -1.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 1.2364 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1732 0.6443 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7536 -0.4546 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.5698 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 -2.4154 0.8219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -2.2823 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 -1.4490 -1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0829 -1.8943 -2.7788 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 -0.0905 -1.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5562 0.5066 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 0.8652 -1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 0.3833 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3858 -0.6158 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -0.0890 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 0.3192 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7688 0.8292 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5626 0.8628 1.8355 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9897 1.2778 0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9556 1.7506 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7712 -0.9246 2.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9124 -0.8646 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3299 -1.6147 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0227 1.2860 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1712 0.7211 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3487 0.6390 2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7683 1.8832 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 0.0984 2.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2374 -1.1770 1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 -1.0608 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9512 -0.6924 -0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 2.7451 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2007 2.9057 0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3489 1.9719 -0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 0.9431 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 2.0514 1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 1.0014 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 -0.9361 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3794 -1.1809 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 -2.7607 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -2.5060 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 -3.2679 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8845 -1.4035 -2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2847 -1.1979 -3.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 0.5720 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -0.0834 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 1.4841 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5039 1.6063 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 0.7234 -2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 -1.0147 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 -1.4478 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8349 -0.9334 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 0.7305 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4524 1.0831 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1426 -0.5362 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 1.4692 2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 2.8687 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9717 1.3913 0.7803 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 6 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 17 11 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 7 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 12 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 M END