HMDB0258830 RDKit 3D Terbutryn 35 35 0 0 0 0 0 0 0 0999 V2000 3.8585 -2.7893 1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 -2.0833 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 -0.6735 0.3879 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 -0.1353 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 -0.8722 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 -0.3037 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -1.0455 -0.3048 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4484 -0.4941 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 -1.5881 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 0.0659 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 0.5609 -1.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 1.0027 0.2623 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 1.7463 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 3.4910 0.8963 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 4.4753 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.1605 0.5997 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -2.3521 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 -3.8521 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 -2.5880 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 -2.2531 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -2.5072 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 -2.0862 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -2.2745 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1324 -2.1082 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4304 -1.0839 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -0.5225 1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2136 1.1152 0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -0.0204 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 0.7635 -1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2996 0.2169 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 1.4688 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9288 1.4900 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 4.7574 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 5.4238 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 3.8951 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 6 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 2 0 16 4 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 M END