HMDB0015420 RDKit 3D Quinethazone 30 31 0 0 0 0 0 0 0 0999 V2000 -4.3412 -0.7995 -0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7965 0.4389 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3404 0.2023 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 1.3484 0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 1.3325 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 2.0146 2.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 0.5322 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8537 0.4802 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 -0.3044 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 -0.3811 -0.3754 S 0 0 0 0 0 6 0 0 0 0 0 0 4.8477 0.6035 0.9385 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 -1.8016 -0.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 0.1205 -1.6215 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -1.0242 -1.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -1.9854 -2.5894 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -0.9691 -1.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1543 -0.1802 -0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5653 -0.1189 -0.8397 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9596 -0.5318 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0123 -1.3435 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 -1.4706 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3782 0.6102 0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 1.2732 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2627 -0.6421 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 2.1673 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 1.0470 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0836 -0.0175 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6398 1.2210 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 -1.5212 -2.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -0.3007 -1.7456 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 10 13 2 0 9 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 3 1 0 17 7 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 8 26 1 0 11 27 1 0 11 28 1 0 16 29 1 0 18 30 1 0 M END