HMDB0259156 RDKit 3D Triazolo-benzophenone 45 47 0 0 0 0 0 0 0 0999 V2000 -0.2770 3.3925 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7061 2.3413 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6858 2.4796 1.2327 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 1.3210 1.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7327 0.4430 0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 -0.9953 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 -1.0169 0.5212 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 -0.1925 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 0.5305 -1.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9016 -0.1628 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 -1.0700 1.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 1.0615 -0.1444 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.5061 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 0.3676 -2.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 -0.1619 -3.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 -0.5598 -3.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.2279 -4.3247 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2606 -0.4261 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 0.1121 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9181 0.2323 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 0.8187 1.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 -0.3621 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2587 0.4509 1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5179 -0.0823 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -1.4379 1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6764 -2.2254 1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -1.7138 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 -2.8211 0.2487 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 3.4111 0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 3.0976 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 4.3701 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -1.6672 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 -1.2888 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 -1.6096 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4538 -0.4907 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2214 0.8724 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 -0.8913 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 -2.0326 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2743 0.6776 -2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1627 -0.2539 -4.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 -0.7355 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 1.5228 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3421 0.5426 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7034 -1.8418 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8318 -3.2840 0.9653 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 2 0 8 10 1 0 10 11 1 0 5 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 12 2 1 0 19 13 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 14 39 1 0 15 40 1 0 18 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 M END