KEGG:C09085 Calebassone ISISHOST03240423212D 1 1.00000 0.00000 8125 54 65 0 1 0 999 V2000 19.5011 -15.1523 0.0000 C 0 0 0 0 0 0 0 0 0 19.4892 -14.3691 0.0000 C 0 0 0 0 0 0 0 0 0 18.7964 -13.9878 0.0000 C 0 0 0 0 0 0 0 0 0 18.8201 -15.5585 0.0000 C 0 0 0 0 0 0 0 0 0 18.1272 -15.1730 0.0000 C 0 0 0 0 0 0 0 0 0 18.1195 -14.3897 0.0000 C 0 0 0 0 0 0 0 0 0 17.3556 -14.0810 0.0000 N 0 0 3 0 0 0 0 0 0 16.8638 -14.7507 0.0000 C 0 0 2 0 0 0 0 0 0 17.3404 -15.4213 0.0000 C 0 0 1 0 0 0 0 0 0 13.1224 -13.1025 0.0000 C 0 0 0 0 0 0 0 0 0 13.7927 -13.5146 0.0000 C 0 0 0 0 0 0 0 0 0 14.4893 -13.1401 0.0000 C 0 0 0 0 0 0 0 0 0 13.1451 -12.3135 0.0000 C 0 0 0 0 0 0 0 0 0 13.8452 -11.9412 0.0000 C 0 0 0 0 0 0 0 0 0 14.5113 -12.3492 0.0000 C 0 0 0 0 0 0 0 0 0 15.7580 -12.7341 0.0000 C 0 0 1 0 0 0 0 0 0 15.2788 -12.0665 0.0000 C 0 0 1 0 0 0 0 0 0 15.2687 -13.4026 0.0000 N 0 0 3 0 0 0 0 0 0 16.2198 -16.1427 0.0000 C 0 0 0 0 0 0 0 0 0 17.0072 -16.1259 0.0000 C 0 0 2 0 0 0 0 0 0 16.1897 -14.7914 0.0000 C 0 0 2 0 0 0 0 0 0 15.8175 -15.4714 0.0000 C 0 0 2 0 0 0 0 0 0 17.4058 -16.7947 0.0000 N 0 3 1 0 0 0 0 0 0 18.1437 -16.5770 0.0000 C 0 0 0 0 0 0 0 0 0 18.3339 -15.8278 0.0000 C 0 0 0 0 0 0 0 0 0 15.4439 -16.1621 0.0000 C 0 0 0 0 0 0 0 0 0 16.7419 -17.1904 0.0000 C 0 0 0 0 0 0 0 0 0 17.8134 -17.4522 0.0000 C 0 0 0 0 0 0 0 0 0 14.6229 -16.1799 0.0000 C 0 0 0 0 0 0 0 0 0 14.1994 -15.4726 0.0000 C 0 0 0 0 0 0 0 0 0 16.9654 -13.4240 0.0000 C 0 0 1 0 0 0 0 0 0 15.7705 -14.0795 0.0000 C 0 0 2 0 0 0 0 0 0 16.6787 -14.1844 0.0000 O 0 0 0 0 0 0 0 0 0 16.5078 -11.3609 0.0000 C 0 0 0 0 0 0 0 0 0 15.7288 -11.3777 0.0000 C 0 0 2 0 0 0 0 0 0 16.5421 -12.7122 0.0000 C 0 0 1 0 0 0 0 0 0 16.9143 -12.0363 0.0000 C 0 0 2 0 0 0 0 0 0 15.3301 -10.7089 0.0000 N 0 3 1 0 0 0 0 0 0 14.5839 -10.9307 0.0000 C 0 0 0 0 0 0 0 0 0 14.3979 -11.6799 0.0000 C 0 0 0 0 0 0 0 0 0 17.2879 -11.3456 0.0000 C 0 0 0 0 0 0 0 0 0 15.9898 -10.3131 0.0000 C 0 0 0 0 0 0 0 0 0 14.9226 -10.0554 0.0000 C 0 0 0 0 0 0 0 0 0 18.1089 -11.3278 0.0000 C 0 0 0 0 0 0 0 0 0 18.5324 -12.0351 0.0000 C 0 0 0 0 0 0 0 0 0 16.0489 -13.3233 0.0000 O 0 0 0 0 0 0 0 0 0 16.1375 -12.0875 0.0000 H 0 0 0 0 0 0 0 0 0 17.6916 -12.0334 0.0000 H 0 0 0 0 0 0 0 0 0 17.6708 -13.0833 0.0000 H 0 0 0 0 0 0 0 0 0 15.0500 -14.4084 0.0000 H 0 0 0 0 0 0 0 0 0 15.0334 -15.4667 0.0000 H 0 0 0 0 0 0 0 0 0 15.4875 -14.7834 0.0000 H 0 0 0 0 0 0 0 0 0 17.1958 -12.6666 0.0000 H 0 0 0 0 0 0 0 0 0 16.6042 -15.4417 0.0000 H 0 0 0 0 0 0 0 0 0 24 25 1 0 0 0 9 25 1 1 0 0 1 2 1 0 0 0 22 26 1 0 0 0 10 11 2 0 0 0 23 27 1 0 0 0 27 26 1 0 0 0 11 12 1 0 0 0 23 28 1 6 0 0 12 15 2 0 0 0 26 29 2 0 0 0 14 13 2 0 0 0 29 30 1 0 0 0 13 10 1 0 0 0 7 31 1 0 0 0 14 15 1 0 0 0 21 32 1 0 0 0 31 32 1 0 0 0 2 3 2 0 0 0 8 33 1 1 0 0 6 7 1 0 0 0 7 8 1 0 0 0 16 36 1 0 0 0 37 34 1 0 0 0 34 35 1 0 0 0 35 17 1 0 0 0 16 17 1 0 0 0 17 15 1 0 0 0 36 37 1 0 0 0 12 18 1 0 0 0 35 38 1 0 0 0 18 16 1 0 0 0 38 39 1 0 0 0 8 9 1 0 0 0 39 40 1 0 0 0 17 40 1 1 0 0 9 5 1 0 0 0 37 41 1 0 0 0 8 21 1 0 0 0 38 42 1 0 0 0 42 41 1 0 0 0 22 19 1 0 0 0 38 43 1 6 0 0 19 20 1 0 0 0 41 44 2 0 0 0 20 9 1 0 0 0 44 45 1 0 0 0 18 32 1 0 0 0 36 31 1 0 0 0 3 6 1 0 0 0 16 46 1 1 0 0 5 4 1 0 0 0 35 47 1 6 0 0 21 22 1 0 0 0 37 48 1 6 0 0 4 1 2 0 0 0 31 49 1 6 0 0 20 23 1 0 0 0 32 50 1 6 0 0 5 6 2 0 0 0 22 51 1 6 0 0 23 24 1 0 0 0 21 52 1 1 0 0 36 53 1 1 0 0 20 54 1 6 0 0 M CHG 2 23 1 38 1 M END