HMDB0256593 RDKit 3D Piretanide 43 45 0 0 0 0 0 0 0 0999 V2000 2.0074 2.7701 -2.3026 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 2.7750 -0.5654 S 0 0 0 0 0 6 0 0 0 0 0 0 3.1268 1.9479 -0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 4.1778 -0.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 2.1818 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 3.0050 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 2.5938 1.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 3.4648 2.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4198 3.0954 2.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 4.7389 2.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 1.3282 1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1845 0.5115 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 -0.7879 -0.0349 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.3417 -1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 -2.8364 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 -2.8842 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0162 -1.7368 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.9254 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 0.1030 -1.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 -0.7998 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -1.5283 -1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 -2.4682 -1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 -2.7187 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 -2.0024 0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1054 -1.0670 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2283 2.1842 -2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 3.7487 -2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 3.9888 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 4.9612 3.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 0.9715 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 -1.0090 -1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2207 -1.1117 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 -3.3625 -1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 -3.2827 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -3.8545 0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 -2.6665 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -1.3003 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 -2.1317 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -1.3551 -2.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 -3.0245 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -3.4579 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 -2.2281 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6283 -0.5170 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 12 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 18 5 1 0 25 20 1 0 17 13 1 0 1 26 1 0 1 27 1 0 6 28 1 0 10 29 1 0 11 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 M END