D09IRF -OEChem-04152109282D 67 69 0 1 0 0 0 0 0999 V2000 2.4550 3.6027 0.0000 I -2 0 0 0 0 0 0 0 0 0 0 0 6.4588 1.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7783 -4.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0473 -4.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 1.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 2.0576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3280 2.7061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7269 2.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5868 3.6720 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8502 4.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1069 1.8404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5535 3.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 2.3996 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2269 1.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5929 3.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1418 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0248 0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 2.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 2.3584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0597 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8664 3.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9267 2.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9775 -2.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 3.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 1.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 2.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8954 -3.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5180 2.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0371 4.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1680 5.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2370 4.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5647 1.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5485 3.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9392 3.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8245 2.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6900 1.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5369 1.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7638 2.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9029 2.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1299 3.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2829 3.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5279 0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9502 0.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2305 1.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5506 0.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 3.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 1.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5339 -0.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3414 3.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 3.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5566 -1.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1342 -0.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3636 -2.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7859 -2.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4745 -2.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0521 -1.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 1.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 0.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8000 -4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 19 1 0 0 0 0 2 58 1 0 0 0 0 3 30 1 0 0 0 0 3 66 1 0 0 0 0 4 30 2 0 0 0 0 5 31 1 0 0 0 0 5 67 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 30 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 27 29 2 0 0 0 0 27 64 1 0 0 0 0 28 31 2 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 M ISO 1 1 125 M END $$$$