HMDB0038642 RDKit 3D Fumitremorgin C 53 57 0 0 0 0 0 0 0 0999 V2000 7.1825 -1.0528 1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -0.0880 1.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -0.1952 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -1.2243 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -1.3310 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -0.3949 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 -0.2498 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 0.8837 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 1.4000 0.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 0.6415 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 0.7520 1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 1.2579 -0.8329 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0770 2.3466 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7521 3.4020 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 3.6592 -1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 4.4112 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 0.0677 -0.7588 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5584 0.0023 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 0.9420 0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -1.2430 -0.0356 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2848 -1.4440 1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 -2.8876 1.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 -3.4303 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4186 -2.3505 -0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1815 -2.2776 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -3.1624 -0.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -1.0598 -1.5748 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4375 -0.9833 -1.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3547 -1.1320 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8317 -1.9994 1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0945 -0.6860 1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5169 -1.9516 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 -2.1487 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5326 2.2589 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1769 1.5668 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 1.6013 -1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 2.2297 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 2.7336 -2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 4.0564 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5511 4.4492 -2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 5.1357 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 5.0184 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 3.9354 1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8804 -1.2144 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -1.2421 0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 -0.7392 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9763 -2.9048 2.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 -3.4994 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 -3.7694 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 -4.3224 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 -1.1388 -2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 -0.5854 -3.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 -2.0434 -2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 8 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 11 3 1 0 27 17 1 0 10 6 1 0 24 20 1 0 28 7 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 9 34 1 0 11 35 1 0 12 36 1 6 13 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 20 44 1 6 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 27 51 1 6 28 52 1 0 28 53 1 0 M END