KEGG:C08904 Officinalisnin I ISISHOST03240423212D 1 1.00000 0.00000 7944 70 77 0 0 0 999 V2000 12.0958 -16.3334 0.0000 C 0 0 2 0 0 0 0 0 0 12.0829 -17.1419 0.0000 O 0 0 0 0 0 0 0 0 0 12.8009 -15.9409 0.0000 C 0 0 1 0 0 0 0 0 0 12.7814 -17.5546 0.0000 C 0 0 1 0 0 0 0 0 0 13.5024 -16.3433 0.0000 C 0 0 2 0 0 0 0 0 0 12.8121 -15.1293 0.0000 O 0 0 0 0 0 0 0 0 0 13.4913 -17.1635 0.0000 C 0 0 2 0 0 0 0 0 0 12.7685 -18.3633 0.0000 C 0 0 0 0 0 0 0 0 0 14.2086 -15.9542 0.0000 O 0 0 0 0 0 0 0 0 0 14.1853 -17.5827 0.0000 O 0 0 0 0 0 0 0 0 0 21.9333 -10.6792 0.0000 C 0 0 2 0 0 0 0 0 0 21.9477 -11.4863 0.0000 O 0 0 0 0 0 0 0 0 0 22.6283 -10.2632 0.0000 C 0 0 1 0 0 0 0 0 0 22.6574 -11.8773 0.0000 C 0 0 1 0 0 0 0 0 0 23.3338 -10.6502 0.0000 C 0 0 2 0 0 0 0 0 0 22.6139 -9.4562 0.0000 O 0 0 0 0 0 0 0 0 0 23.3518 -11.4648 0.0000 C 0 0 2 0 0 0 0 0 0 22.6678 -12.6878 0.0000 C 0 0 0 0 0 0 0 0 0 24.0248 -10.2342 0.0000 O 0 0 0 0 0 0 0 0 0 24.0572 -11.8518 0.0000 O 0 0 0 0 0 0 0 0 0 21.9623 -13.1072 0.0000 O 0 0 0 0 0 0 0 0 0 10.6750 -14.7083 0.0000 C 0 0 1 0 0 0 0 0 0 10.6764 -15.5208 0.0000 C 0 0 2 0 0 0 0 0 0 9.9789 -14.3083 0.0000 O 0 0 0 0 0 0 0 0 0 11.3842 -15.9228 0.0000 O 0 0 0 0 0 0 0 0 0 9.9798 -15.9282 0.0000 C 0 0 2 0 0 0 0 0 0 9.2806 -14.7186 0.0000 C 0 0 1 0 0 0 0 0 0 9.2771 -15.5243 0.0000 C 0 0 1 0 0 0 0 0 0 9.9812 -16.7407 0.0000 O 0 0 0 0 0 0 0 0 0 8.5691 -14.3146 0.0000 C 0 0 0 0 0 0 0 0 0 8.5805 -15.9318 0.0000 O 0 0 0 0 0 0 0 0 0 8.5648 -13.5003 0.0000 O 0 0 0 0 0 0 0 0 0 15.6107 -11.8926 0.0000 C 0 0 1 0 0 0 0 0 0 15.5961 -12.6996 0.0000 C 0 0 2 0 0 0 0 0 0 16.3093 -11.4945 0.0000 C 0 0 2 0 0 0 0 0 0 14.9086 -11.4801 0.0000 C 0 0 0 0 0 0 0 0 0 15.5996 -11.0820 0.0000 C 0 0 0 0 0 0 0 0 0 14.9017 -13.0975 0.0000 C 0 0 1 0 0 0 0 0 0 16.9933 -12.7141 0.0000 C 0 0 0 0 0 0 0 0 0 17.0147 -11.9070 0.0000 C 0 0 2 0 0 0 0 0 0 16.3127 -10.6840 0.0000 C 0 0 1 0 0 0 0 0 0 14.2067 -11.8815 0.0000 C 0 0 0 0 0 0 0 0 0 14.2067 -12.6850 0.0000 C 0 0 2 0 0 0 0 0 0 14.9017 -13.9081 0.0000 C 0 0 0 0 0 0 0 0 0 17.7056 -11.4980 0.0000 O 0 0 0 0 0 0 0 0 0 17.7056 -10.6910 0.0000 C 0 0 2 0 0 0 0 0 0 15.7371 -10.1085 0.0000 C 0 0 0 0 0 0 0 0 0 13.4977 -13.0941 0.0000 C 0 0 2 0 0 0 0 0 0 14.1963 -14.3060 0.0000 C 0 0 0 0 0 0 0 0 0 18.4153 -10.2784 0.0000 C 0 0 0 0 0 0 0 0 0 17.7056 -9.8770 0.0000 O 0 0 0 0 0 0 0 0 0 13.4977 -13.8970 0.0000 C 0 0 2 0 0 0 0 0 0 12.7991 -12.6850 0.0000 C 0 0 0 0 0 0 0 0 0 13.4977 -12.2836 0.0000 C 0 0 0 0 0 0 0 0 0 19.1097 -10.6840 0.0000 C 0 0 0 0 0 0 0 0 0 12.7991 -14.3026 0.0000 C 0 0 0 0 0 0 0 0 0 12.0937 -13.0941 0.0000 C 0 0 0 0 0 0 0 0 0 19.8116 -10.2784 0.0000 C 0 0 2 0 0 0 0 0 0 12.0937 -13.8970 0.0000 C 0 0 2 0 0 0 0 0 0 20.5102 -10.6840 0.0000 C 0 0 0 0 0 0 0 0 0 19.8116 -9.4680 0.0000 C 0 0 0 0 0 0 0 0 0 11.3917 -14.3026 0.0000 O 0 0 0 0 0 0 0 0 0 15.5892 -13.5211 0.0000 H 0 0 0 0 0 0 0 0 0 16.2982 -12.3120 0.0000 H 0 0 0 0 0 0 0 0 0 14.8942 -12.2725 0.0000 H 0 0 0 0 0 0 0 0 0 17.7278 -12.3195 0.0000 H 0 0 0 0 0 0 0 0 0 14.2032 -13.5066 0.0000 H 0 0 0 0 0 0 0 0 0 13.4901 -14.7220 0.0000 H 0 0 0 0 0 0 0 0 0 21.2208 -10.2709 0.0000 O 0 0 0 0 0 0 0 0 0 12.0476 -18.7644 0.0000 O 0 0 0 0 0 0 0 0 0 3 6 1 6 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 1 0 0 7 10 1 6 0 0 5 7 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 13 16 1 6 0 0 14 17 1 0 0 0 14 18 1 1 0 0 15 19 1 1 0 0 17 20 1 6 0 0 18 21 1 0 0 0 15 17 1 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 23 25 1 6 0 0 23 26 1 0 0 0 24 27 1 0 0 0 26 28 1 0 0 0 26 29 1 1 0 0 27 30 1 1 0 0 28 31 1 6 0 0 30 32 1 0 0 0 27 28 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 33 37 1 1 0 0 34 38 1 0 0 0 34 39 1 0 0 0 35 40 1 0 0 0 35 41 1 0 0 0 36 42 1 0 0 0 38 43 1 0 0 0 38 44 1 0 0 0 40 45 1 0 0 0 41 46 1 0 0 0 41 47 1 6 0 0 43 48 1 0 0 0 44 49 1 0 0 0 46 50 1 0 0 0 46 51 1 6 0 0 48 52 1 0 0 0 48 53 1 0 0 0 48 54 1 1 0 0 50 55 1 0 0 0 52 56 1 0 0 0 53 57 1 0 0 0 55 58 1 0 0 0 56 59 1 0 0 0 58 60 1 0 0 0 58 61 1 1 0 0 59 62 1 1 0 0 39 40 1 0 0 0 42 43 1 0 0 0 45 46 1 0 0 0 49 52 1 0 0 0 57 59 1 0 0 0 34 63 1 6 0 0 35 64 1 6 0 0 38 65 1 1 0 0 40 66 1 6 0 0 43 67 1 6 0 0 52 68 1 1 0 0 22 62 1 1 0 0 2 4 1 0 0 0 60 69 1 0 0 0 11 69 1 1 0 0 1 25 1 1 0 0 3 5 1 0 0 0 8 70 1 0 0 0 M END