HMDB0253593 RDKit 3D Isavuconazole 48 51 0 0 0 0 0 0 0 0999 V2000 -0.6866 -2.5847 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 -1.2676 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -0.7836 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 -0.4629 -0.7038 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -0.0620 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 0.3189 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 0.2612 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9961 0.6047 1.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 1.0256 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3128 1.3923 1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2266 1.6907 2.4985 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1889 1.0937 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0641 0.7379 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -0.0015 -2.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1557 -0.5241 -3.0310 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4897 -0.3010 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -0.1804 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 1.0601 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 1.9093 0.2071 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 2.7189 1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7978 3.3430 1.8103 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 2.8891 1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 2.0166 0.3411 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 -0.8994 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9983 -1.2130 1.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1892 -1.7591 2.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3882 -2.0567 3.3488 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -1.9910 1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -1.6848 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 -1.1289 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5997 -0.8598 -1.9682 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 -3.2221 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 -2.3486 0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -3.1646 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 -1.4306 -1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 -0.0780 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 0.5536 2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 1.4177 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 0.7988 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5656 0.3075 -3.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 0.5977 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7839 1.5234 -1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3726 0.9921 -1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 2.8995 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9764 3.1495 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 -1.0077 2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0875 -2.4180 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7247 -1.8715 -0.9924 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 3 0 9 12 1 0 12 13 2 0 5 14 2 0 14 15 1 0 2 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 16 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 15 3 1 0 23 19 1 0 30 24 1 0 13 6 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 7 36 1 0 8 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 20 44 1 0 22 45 1 0 25 46 1 0 28 47 1 0 29 48 1 0 M END