B37XDZ -OEChem-04022102022D 42 45 0 0 0 0 0 0 0999 V2000 2.5000 -1.6982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 -3.5607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -3.1540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 4.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 2.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 -2.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2382 -4.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 0.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 1.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 5.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -0.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 4.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 5.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 0.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 2.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4516 -1.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 -2.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -4.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3671 -5.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8447 -4.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 2 12 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 15 1 0 0 0 0 9 17 2 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$