HMDB0031812 RDKit 3D Oxfendazole 35 37 0 0 0 0 0 0 0 0999 V2000 6.5761 1.1134 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.5731 0.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2093 0.1234 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2359 0.2285 -2.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0367 -0.4209 -1.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 -0.5846 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 -1.1083 -1.5552 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 -1.1145 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6046 -1.5297 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 -1.4134 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 -1.9437 0.6427 S 0 0 0 0 0 4 0 0 0 0 0 0 -3.3908 -2.3260 2.0932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -0.5438 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 -0.3076 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 0.7938 -1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6201 1.6709 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2991 1.4483 0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 0.3450 1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 -0.8768 1.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 -0.4705 1.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.5844 0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5829 -0.2675 0.2011 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 1.5086 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2201 0.3703 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3599 1.9306 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 -0.7340 -2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.9429 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0059 -0.9896 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3978 0.9551 -2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 2.5154 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 2.1430 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 0.1824 2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -0.7759 2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0344 -0.0460 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 0.1664 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 10 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 6 1 0 21 8 1 0 18 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 9 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 22 35 1 0 M END