HMDB0061052 RDKit 3D 4-hydroxytriazolam 36 39 0 0 0 0 0 0 0 0999 V2000 4.1361 0.8456 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4501 -0.3814 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9207 -1.3573 -1.1814 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 -2.2771 -1.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8841 -1.9319 -0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -0.7634 -0.0787 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3314 -0.0631 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 0.4757 1.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 1.1290 2.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.1956 2.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1853 2.0198 3.8322 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 0.6296 1.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -0.0096 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 -0.5693 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 0.1370 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 1.3917 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 1.9578 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 1.2702 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -0.0179 -2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 -0.5632 -1.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 -2.1920 -2.1934 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5139 -1.7220 -1.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5829 -2.6459 -0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 -3.1447 0.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 1.1892 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 0.7339 0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 1.7284 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 0.3637 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 1.5959 3.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 0.6137 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 2.0428 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 2.9857 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3608 1.7382 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 -0.5382 -2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -3.4656 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 -2.4009 1.1857 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 14 22 2 0 22 23 1 0 23 24 1 0 6 2 1 0 13 7 1 0 20 15 1 0 23 5 1 0 1 25 1 0 1 26 1 0 1 27 1 0 8 28 1 0 9 29 1 0 12 30 1 0 16 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 23 35 1 0 24 36 1 0 M END