HMDB0015242 RDKit 3D Miconazole 39 41 0 0 0 0 0 0 0 0999 V2000 6.9287 -1.4494 -0.7107 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 -1.1565 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 -2.2037 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 -2.0327 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -0.7994 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2002 -0.3967 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.4843 -0.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 0.3429 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5371 -0.7709 1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 -1.4814 0.6419 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 -2.1610 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 -3.0502 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1572 -2.8721 0.3606 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 -1.9329 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 1.4990 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 1.8823 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 3.1246 -1.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0099 4.0156 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 5.6304 -1.4203 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 3.6687 0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 2.4554 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 2.1024 2.6832 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 0.2671 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6776 1.8589 -0.1095 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 0.1060 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -3.1924 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2915 -2.9358 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1156 -1.5657 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 0.0921 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 0.6086 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -0.3893 2.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -1.4703 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -1.9451 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -3.7414 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 -1.6030 2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4409 1.2123 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 3.4729 -2.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 4.3355 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 0.9594 -0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 5 23 1 0 23 24 1 0 23 25 2 0 25 2 1 0 14 10 1 0 21 15 1 0 3 26 1 0 4 27 1 0 6 28 1 0 6 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 20 38 1 0 25 39 1 0 M END