KEGG:C11775 Xamoterol ISISHOST03240423292D 1 1.00000 0.00000 12966 24 25 0 0 0 999 V2000 0.4025 -10.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0.3990 -9.7059 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3148 -10.9508 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3148 -9.2921 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0320 -10.5335 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0320 -9.7059 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3140 -8.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0.4009 -8.0553 0.0000 C 0 0 0 0 0 0 0 0 0 1.1150 -8.4685 0.0000 C 0 0 3 0 0 0 0 0 0 1.8299 -8.0568 0.0000 C 0 0 0 0 0 0 0 0 0 2.5439 -8.4700 0.0000 N 0 0 0 0 0 0 0 0 0 3.2588 -8.0582 0.0000 C 0 0 0 0 0 0 0 0 0 3.9728 -8.4715 0.0000 C 0 0 0 0 0 0 0 0 0 1.1141 -9.2935 0.0000 O 0 0 0 0 0 0 0 0 0 4.6863 -8.0592 0.0000 N 0 0 0 0 0 0 0 0 0 5.4018 -8.4730 0.0000 C 0 0 0 0 0 0 0 0 0 6.1179 -8.0602 0.0000 O 0 0 0 0 0 0 0 0 0 5.4012 -9.2980 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3164 -11.7758 0.0000 O 0 0 0 0 0 0 0 0 0 4.6878 -9.7076 0.0000 C 0 0 0 0 0 0 0 0 0 4.6872 -10.5326 0.0000 C 0 0 0 0 0 0 0 0 0 5.4014 -10.9457 0.0000 O 0 0 0 0 0 0 0 0 0 6.1161 -10.5337 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -9.7087 0.0000 C 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 5 6 1 0 0 0 12 13 1 0 0 0 13 15 1 0 0 0 14 9 1 0 0 0 4 7 1 0 0 0 1 2 2 0 0 0 7 8 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 1 3 1 0 0 0 16 18 1 0 0 0 8 9 1 0 0 0 3 19 1 0 0 0 2 4 1 0 0 0 9 10 1 0 0 0 3 5 2 0 0 0 10 11 1 0 0 0 4 6 2 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 18 1 0 0 0 M END