B6JFO5 -OEChem-04022105052D 45 47 0 0 0 0 0 0 0999 V2000 13.2260 1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -1.5630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6183 0.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6434 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 -1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8460 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 0.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8460 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 31 1 0 0 0 0 3 11 2 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 15 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 30 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$