KEGG:C10810 Irehine ISISHOST03240423262D 1 1.00000 0.00000 9868 29 32 0 1 0 999 V2000 5.4011 -11.5886 0.0000 C 0 0 0 0 0 0 0 0 0 5.3873 -13.2002 0.0000 C 0 0 1 0 0 0 0 0 0 4.6964 -11.9795 0.0000 C 0 0 0 0 0 0 0 0 0 4.6895 -12.7871 0.0000 C 0 0 2 0 0 0 0 0 0 5.3873 -14.0075 0.0000 C 0 0 0 0 0 0 0 0 0 3.9925 -13.1933 0.0000 C 0 0 2 0 0 0 0 0 0 4.6826 -14.4096 0.0000 C 0 0 0 0 0 0 0 0 0 3.9890 -14.0007 0.0000 C 0 0 0 0 0 0 0 0 0 3.2953 -12.7836 0.0000 C 0 0 0 0 0 0 0 0 0 3.9856 -12.3858 0.0000 C 0 0 0 0 0 0 0 0 0 3.2953 -14.4061 0.0000 C 0 0 0 0 0 0 0 0 0 2.5940 -13.1933 0.0000 C 0 0 0 0 0 0 0 0 0 2.5940 -14.0007 0.0000 C 0 0 2 0 0 0 0 0 0 1.8892 -14.4061 0.0000 O 0 0 0 0 0 0 0 0 0 6.0783 -13.6084 0.0000 H 0 0 0 0 0 0 0 0 0 5.3804 -12.3892 0.0000 H 0 0 0 0 0 0 0 0 0 6.0917 -11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6833 -13.5916 0.0000 H 0 0 0 0 0 0 0 0 0 6.0955 -11.9915 0.0000 C 0 0 1 0 0 0 0 0 0 6.0887 -12.8043 0.0000 C 0 0 1 0 0 0 0 0 0 7.4951 -12.8161 0.0000 C 0 0 0 0 0 0 0 0 0 7.5020 -12.0033 0.0000 C 0 0 0 0 0 0 0 0 0 6.8001 -11.5930 0.0000 C 0 0 2 0 0 0 0 0 0 6.8068 -10.7889 0.0000 C 0 0 1 0 0 0 0 0 0 7.5080 -10.3906 0.0000 N 0 0 3 0 0 0 0 0 0 6.1166 -10.3789 0.0000 C 0 0 0 0 0 0 0 0 0 8.2024 -10.7964 0.0000 C 0 0 0 0 0 0 0 0 0 7.5148 -9.5865 0.0000 C 0 0 0 0 0 0 0 0 0 7.5487 -11.2791 0.0000 H 0 0 0 0 0 0 0 0 0 11 13 1 0 0 0 13 14 1 1 0 0 3 4 1 0 0 0 7 8 2 0 0 0 12 13 1 0 0 0 20 15 1 6 0 0 2 16 1 1 0 0 19 17 1 1 0 0 19 1 1 0 0 0 20 2 1 0 0 0 4 18 1 6 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 4 6 1 0 0 0 19 20 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 19 1 0 0 0 20 21 1 0 0 0 5 7 1 0 0 0 23 24 1 0 0 0 6 8 1 0 0 0 24 25 1 6 0 0 6 9 1 0 0 0 24 26 1 0 0 0 6 10 1 1 0 0 25 27 1 0 0 0 8 11 1 0 0 0 25 28 1 0 0 0 9 12 1 0 0 0 23 29 1 6 0 0 M END