B3WDG4 -OEChem-04022102362D 41 44 0 1 0 0 0 0 0999 V2000 8.2526 -2.9640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1550 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.3503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.9597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2526 -1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -0.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 -0.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 -1.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 -3.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 37 1 0 0 0 0 5 16 1 0 0 0 0 5 17 2 0 0 0 0 6 16 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$