HMDB0249461 RDKit 3D BUTHIDAZOLE 33 34 0 0 0 0 0 0 0 0999 V2000 -5.2654 -1.6229 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1005 -0.7914 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0473 0.6531 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 0.9633 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 2.2753 0.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 -0.0095 0.2786 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 -0.0065 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 -0.2174 -1.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3376 -0.1860 -1.2343 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 0.0604 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 0.1532 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 1.4739 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 -0.9115 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -0.0203 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8227 0.2557 1.0290 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7409 -1.1990 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2819 -2.3709 -0.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9763 -2.6724 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0131 -1.3401 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7446 -1.5206 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 0.8338 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9533 1.1814 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2542 0.6548 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 2.7861 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 2.1501 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 1.3619 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 1.8450 -1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2947 -0.8391 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 -0.7486 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 -1.9293 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 -0.7703 1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 0.9182 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -0.4104 1.9919 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 10 15 1 0 6 16 1 0 16 17 2 0 16 2 1 0 15 7 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 12 25 1 0 12 26 1 0 12 27 1 0 13 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 M END