HMDB0060894 RDKit 3D 4-Hydroxyvoriconazole 40 42 0 0 0 0 0 0 0 0999 V2000 0.6830 0.0490 1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6837 0.4504 0.2729 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9146 0.0397 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -0.3224 0.5835 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 -0.7047 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 -0.7673 -1.0169 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5793 -0.4300 -1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 -0.0272 -1.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.3099 -2.5280 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 0.1648 -0.2431 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8753 0.5364 -1.5691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 -1.2700 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1655 -2.2627 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -3.6154 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -4.0174 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -5.3480 -0.0667 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6393 -3.0893 -0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 -1.7321 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -0.9282 -1.0146 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 1.0787 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 1.0053 0.1391 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 2.4963 0.4178 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 3.2613 1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 4.5144 0.9693 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 4.5530 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 3.3273 -0.5971 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 -0.5339 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 -0.5976 1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 0.9283 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7344 1.5973 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 -0.9842 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 -0.4590 -2.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 1.4785 -1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 -2.0310 0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2716 -4.3378 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6267 -3.3765 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4962 0.8840 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 1.7391 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 2.9704 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 5.4507 -0.9382 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 2 10 1 0 10 11 1 6 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 10 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 8 3 1 0 18 12 1 0 26 22 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 1 5 31 1 0 7 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 17 36 1 0 20 37 1 0 21 38 1 0 23 39 1 0 25 40 1 0 M END