HMDB0014342 RDKit 3D Fluconazole 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0245 -0.4179 1.5362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2802 -0.1426 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4164 -0.9912 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 -1.0623 -0.8594 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 -1.8601 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9132 -1.6517 -0.5543 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -0.7399 -1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 -0.4019 -1.6881 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 1.3346 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 1.9824 0.4443 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 2.3598 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9882 2.9204 0.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 2.8965 1.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 2.3161 1.6686 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 -0.4480 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 0.4674 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 0.1354 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -1.1338 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 -1.4755 0.0912 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 -2.0751 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.6994 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2793 -2.6074 0.8909 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -0.2777 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 -0.6294 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -2.0572 -0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -2.5385 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7407 -0.3615 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.7122 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 1.6334 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 2.2819 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 3.2506 2.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4175 1.4647 -0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 0.8987 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 -3.0831 0.7848 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 2 0 6 7 1 0 7 8 2 0 2 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 2 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 8 4 1 0 14 10 1 0 21 15 1 0 1 23 1 0 3 24 1 0 3 25 1 0 5 26 1 0 7 27 1 0 9 28 1 0 9 29 1 0 11 30 1 0 13 31 1 0 16 32 1 0 17 33 1 0 20 34 1 0 M END