B2PXF6 -OEChem-04012116112D 40 42 0 1 0 0 0 0 0999 V2000 4.4487 0.8988 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6691 1.9920 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.3988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 1.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 2.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 -3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 -3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 15 2 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 17 2 0 0 0 0 11 29 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$