KEGG:C09246 Toxiferine I ISISHOST03240423222D 1 1.00000 0.00000 8288 52 62 0 1 0 999 V2000 5.9094 -13.8113 0.0000 C 0 0 1 0 0 0 0 0 0 5.4611 -13.1251 0.0000 C 0 0 2 0 0 0 0 0 0 5.5370 -14.4975 0.0000 C 0 0 1 0 0 0 0 0 0 6.7025 -13.5975 0.0000 C 0 0 0 0 0 0 0 0 0 6.8749 -14.2630 0.0000 C 0 0 0 0 0 0 0 0 0 4.7852 -13.1389 0.0000 C 0 0 0 0 0 0 0 0 0 5.9783 -12.4872 0.0000 N 0 0 3 0 0 0 0 0 0 5.9094 -15.1734 0.0000 N 0 3 1 0 0 0 0 0 0 4.7576 -14.4803 0.0000 C 0 0 0 0 0 0 0 0 0 6.7232 -12.8217 0.0000 C 0 0 0 0 0 0 0 0 0 7.3680 -14.0148 0.0000 C 0 0 0 0 0 0 0 0 0 6.6577 -14.9975 0.0000 C 0 0 0 0 0 0 0 0 0 4.3887 -13.7975 0.0000 C 0 0 1 0 0 0 0 0 0 4.1266 -12.6182 0.0000 C 0 0 0 0 0 0 0 0 0 5.9749 -11.6665 0.0000 C 0 0 0 0 0 0 0 0 0 5.2335 -15.5458 0.0000 C 0 0 0 0 0 0 0 0 0 6.2852 -15.8527 0.0000 C 0 0 0 0 0 0 0 0 0 7.4128 -12.4527 0.0000 C 0 0 0 0 0 0 0 0 0 8.0577 -13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 3.9852 -14.4630 0.0000 C 0 0 0 0 0 0 0 0 0 4.1301 -11.8044 0.0000 N 0 0 3 0 0 0 0 0 0 5.4335 -11.1389 0.0000 C 0 0 0 0 0 0 0 0 0 8.0818 -12.8596 0.0000 C 0 0 0 0 0 0 0 0 0 3.1680 -14.4458 0.0000 C 0 0 0 0 0 0 0 0 0 4.6197 -11.1389 0.0000 C 0 0 1 0 0 0 0 0 0 3.3507 -11.5458 0.0000 C 0 0 0 0 0 0 0 0 0 5.7680 -10.4423 0.0000 C 0 0 1 0 0 0 0 0 0 2.7818 -13.7286 0.0000 C 0 0 0 0 0 0 0 0 0 4.1404 -10.4734 0.0000 C 0 0 2 0 0 0 0 0 0 3.3749 -10.7630 0.0000 C 0 0 0 0 0 0 0 0 0 2.6611 -11.9148 0.0000 C 0 0 0 0 0 0 0 0 0 5.3680 -9.7734 0.0000 C 0 0 0 0 0 0 0 0 0 6.1404 -9.7596 0.0000 C 0 0 0 0 0 0 0 0 0 1.9576 -13.7217 0.0000 O 0 0 0 0 0 0 0 0 0 4.5887 -9.7906 0.0000 C 0 0 2 0 0 0 0 0 0 3.2645 -10.0906 0.0000 C 0 0 0 0 0 0 0 0 0 2.7128 -10.3492 0.0000 C 0 0 0 0 0 0 0 0 0 1.9990 -11.5079 0.0000 C 0 0 0 0 0 0 0 0 0 4.8473 -8.7320 0.0000 C 0 0 0 0 0 0 0 0 0 6.9577 -9.7423 0.0000 C 0 0 0 0 0 0 0 0 0 4.1852 -9.1320 0.0000 N 0 3 2 0 0 0 0 0 0 3.4507 -9.3458 0.0000 C 0 0 0 0 0 0 0 0 0 2.0232 -10.7217 0.0000 C 0 0 0 0 0 0 0 0 0 7.3783 -10.4389 0.0000 C 0 0 0 0 0 0 0 0 0 3.7887 -8.4734 0.0000 C 0 0 0 0 0 0 0 0 0 8.1956 -10.4389 0.0000 O 0 0 0 0 0 0 0 0 0 5.0404 -12.4079 0.0000 H 0 0 0 0 0 0 0 0 0 5.1404 -13.8148 0.0000 H 0 0 0 0 0 0 0 0 0 3.9990 -13.1286 0.0000 H 0 0 0 0 0 0 0 0 0 5.0266 -11.8492 0.0000 H 0 0 0 0 0 0 0 0 0 6.3128 -10.9872 0.0000 H 0 0 0 0 0 0 0 0 0 4.9956 -10.5010 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 2 0 0 0 4 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 2 0 0 0 7 15 1 0 0 0 8 16 1 0 0 0 8 17 1 6 0 0 10 18 1 0 0 0 11 19 2 0 0 0 13 20 1 0 0 0 14 21 1 0 0 0 15 22 2 0 0 0 18 23 2 0 0 0 20 24 2 0 0 0 21 25 1 0 0 0 21 26 1 0 0 0 22 27 1 0 0 0 24 28 1 0 0 0 25 29 1 0 0 0 26 30 1 0 0 0 26 31 2 0 0 0 27 32 1 0 0 0 27 33 1 0 0 0 28 34 1 0 0 0 29 35 1 0 0 0 29 36 1 1 0 0 30 37 2 0 0 0 31 38 1 0 0 0 33 39 1 0 0 0 33 40 2 0 0 0 35 41 1 0 0 0 36 42 1 0 0 0 37 43 1 0 0 0 40 44 1 0 0 0 41 45 1 6 0 0 44 46 1 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 9 13 1 0 0 0 16 20 1 0 0 0 19 23 1 0 0 0 22 25 1 0 0 0 29 30 1 0 0 0 32 35 1 0 0 0 38 43 2 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 2 47 1 1 0 0 3 48 1 6 0 0 13 49 1 6 0 0 25 50 1 1 0 0 27 51 1 6 0 0 35 52 1 6 0 0 M CHG 2 8 1 41 1 M END