KEGG:C12266 Iturin A ISISHOST07220423302D 1 1.00000 0.00000 14653 65 67 0 1 0 999 V2000 1.9916 -15.8583 0.0000 O 0 0 0 0 0 0 0 0 0 1.8541 -15.1291 0.0000 O 0 0 0 0 0 0 0 0 0 2.5453 -14.7291 0.0000 C 0 0 0 0 0 0 0 0 0 3.4948 -15.0916 0.0000 C 0 0 1 0 0 0 0 0 0 3.4157 -15.9416 0.0000 C 0 0 0 0 0 0 0 0 0 2.8078 -16.3458 0.0000 C 0 0 0 0 0 0 0 0 0 4.9124 -14.9291 0.0000 C 0 0 0 0 0 0 0 0 0 1.4207 -10.9208 0.0000 C 0 0 3 0 0 0 0 0 0 2.1082 -10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.7999 -10.9250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4874 -10.5292 0.0000 N 0 0 0 0 0 0 0 0 0 2.8106 -11.5875 0.0000 O 0 0 0 0 0 0 0 0 0 1.4106 -12.2333 0.0000 N 0 0 0 0 0 0 0 0 0 3.4833 -9.7334 0.0000 C 0 0 2 0 0 0 0 0 0 4.1664 -9.3298 0.0000 C 0 0 0 0 0 0 0 0 0 4.8580 -9.7302 0.0000 N 0 0 0 0 0 0 0 0 0 5.5496 -9.3266 0.0000 C 0 0 1 0 0 0 0 0 0 2.9375 -9.1495 0.0000 C 0 0 0 0 0 0 0 0 0 6.2411 -9.7230 0.0000 C 0 0 0 0 0 0 0 0 0 6.2453 -10.5189 0.0000 N 0 0 0 0 0 0 0 0 0 6.9285 -9.3194 0.0000 O 0 0 0 0 0 0 0 0 0 5.5454 -8.5267 0.0000 C 0 0 0 0 0 0 0 0 0 6.2328 -8.1273 0.0000 C 0 0 0 0 0 0 0 0 0 6.9368 -10.9111 0.0000 C 0 0 1 0 0 0 0 0 0 6.9499 -11.7458 0.0000 C 0 0 0 0 0 0 0 0 0 7.6314 -10.5168 0.0000 C 0 0 0 0 0 0 0 0 0 8.3200 -10.9142 0.0000 C 0 0 0 0 0 0 0 0 0 9.0103 -10.5199 0.0000 N 0 0 0 0 0 0 0 0 0 6.1441 -12.0266 0.0000 O 0 0 0 0 0 0 0 0 0 7.3814 -12.3775 0.0000 N 0 0 0 0 0 0 0 0 0 6.9320 -13.1899 0.0000 C 0 0 2 0 0 0 0 0 0 6.2874 -13.3916 0.0000 C 0 0 0 0 0 0 0 0 0 6.2708 -14.3208 0.0000 N 0 0 3 0 0 0 0 0 0 7.7050 -13.6305 0.0000 C 0 0 0 0 0 0 0 0 0 4.1804 -14.4381 0.0000 N 0 0 0 0 0 0 0 0 0 5.5198 -12.9440 0.0000 O 0 0 0 0 0 0 0 0 0 2.2583 -13.8125 0.0000 N 0 0 0 0 0 0 0 0 0 1.4458 -13.8084 0.0000 C 0 0 2 0 0 0 0 0 0 0.9666 -12.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0.9874 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9844 -15.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0.0708 -12.9584 0.0000 O 0 0 0 0 0 0 0 0 0 4.9120 -15.6946 0.0000 O 0 0 0 0 0 0 0 0 0 4.1665 -8.5298 0.0000 O 0 0 0 0 0 0 0 0 0 2.8083 -17.2750 0.0000 N 0 0 0 0 0 0 0 0 0 8.3182 -11.7059 0.0000 O 0 0 0 0 0 0 0 0 0 2.1242 -9.1505 0.0000 C 0 0 0 0 0 0 0 0 0 1.6393 -8.6654 0.0000 N 0 0 0 0 0 0 0 0 0 1.7584 -9.8407 0.0000 O 0 0 0 0 0 0 0 0 0 6.9187 -8.5244 0.0000 C 0 0 0 0 0 0 0 0 0 7.6061 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 7.6076 -7.3307 0.0000 C 0 0 0 0 0 0 0 0 0 6.9176 -6.9358 0.0000 C 0 0 0 0 0 0 0 0 0 6.2302 -7.3352 0.0000 C 0 0 0 0 0 0 0 0 0 8.2957 -6.9284 0.0000 O 0 0 0 0 0 0 0 0 0 8.4319 -13.2694 0.0000 C 0 0 0 0 0 0 0 0 0 9.2037 -13.6743 0.0000 C 0 0 0 0 0 0 0 0 0 10.0514 -13.2674 0.0000 O 0 0 0 0 0 0 0 0 0 9.2444 -14.3612 0.0000 N 0 0 0 0 0 0 0 0 0 7.0203 -14.8586 0.0000 C 0 0 0 0 0 0 0 0 0 6.8525 -15.6093 0.0000 C 0 0 0 0 0 0 0 0 0 6.0068 -15.6134 0.0000 C 0 0 0 0 0 0 0 0 0 5.6869 -14.9432 0.0000 C 0 0 1 0 0 0 0 0 0 0.7304 -10.5152 0.0000 R 0 0 0 0 0 0 0 0 0 5.4666 -15.7375 0.0000 H 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 7 35 1 0 0 0 3 4 1 0 0 0 16 17 1 0 0 0 32 36 2 0 0 0 14 18 1 1 0 0 4 5 1 6 0 0 4 35 1 0 0 0 3 37 1 0 0 0 38 39 1 0 0 0 39 13 1 0 0 0 38 37 1 0 0 0 38 40 1 1 0 0 40 41 1 0 0 0 17 19 1 0 0 0 5 6 1 0 0 0 19 20 1 0 0 0 39 42 2 0 0 0 19 21 2 0 0 0 7 43 2 0 0 0 15 44 2 0 0 0 17 22 1 6 0 0 6 45 1 0 0 0 22 23 1 0 0 0 27 46 2 0 0 0 6 1 2 0 0 0 18 47 1 0 0 0 8 9 1 0 0 0 47 48 1 0 0 0 20 24 1 0 0 0 47 49 2 0 0 0 9 10 1 0 0 0 24 25 1 0 0 0 24 26 1 6 0 0 10 11 1 0 0 0 26 27 1 0 0 0 23 50 2 0 0 0 50 51 1 0 0 0 51 52 2 0 0 0 52 53 1 0 0 0 53 54 2 0 0 0 54 23 1 0 0 0 27 28 1 0 0 0 52 55 1 0 0 0 10 12 2 0 0 0 34 56 1 0 0 0 25 29 2 0 0 0 56 57 1 0 0 0 2 3 2 0 0 0 57 58 2 0 0 0 25 30 1 0 0 0 57 59 1 0 0 0 8 13 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 11 14 1 0 0 0 33 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 63 62 1 0 0 0 63 33 1 0 0 0 63 7 1 0 0 0 32 33 1 0 0 0 8 64 1 0 0 0 31 34 1 1 0 0 63 65 1 6 0 0 M END