HMDB0249653 RDKit 3D Carboxyamidotriazole 39 41 0 0 0 0 0 0 0 0999 V2000 6.9532 2.0925 0.9023 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 1.0064 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 0.4094 -0.7434 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0456 0.5207 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 1.0534 1.8434 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3297 0.3917 2.0444 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2017 -0.5865 1.1002 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0709 -1.4445 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -0.8568 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 -0.9893 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 -0.4292 -1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 -0.6798 -2.9065 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 0.3246 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8317 0.8555 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 1.7897 -1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 0.5579 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7522 -0.0012 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1266 -0.2605 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9951 0.0329 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7235 -0.2648 -0.4092 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.4776 0.5928 -1.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1317 0.8423 -1.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 0.4524 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 1.4512 2.0550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -0.1093 1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2769 -0.4812 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -1.3513 -0.8012 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5656 2.4264 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 2.5770 0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -2.0384 1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 -2.2487 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -1.5462 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -0.3208 1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5364 -0.6881 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1705 0.8314 -2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8064 1.2918 -2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 -0.0019 2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -2.3942 -0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7714 -0.9823 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 13 23 1 0 23 24 1 0 23 25 2 0 7 26 1 0 26 27 1 0 26 4 2 0 25 9 1 0 22 16 1 0 1 28 1 0 1 29 1 0 8 30 1 0 8 31 1 0 10 32 1 0 17 33 1 0 18 34 1 0 21 35 1 0 22 36 1 0 25 37 1 0 27 38 1 0 27 39 1 0 M END