BK3E1F -OEChem-04022101242D 48 50 0 1 0 0 0 0 0999 V2000 8.8067 3.0256 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.5842 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3526 -3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6207 -3.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 0.9563 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6438 -1.5535 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 2.9910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.4910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 -3.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 0.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5764 -0.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 0.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 -0.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 0.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 3.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 -2.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 -1.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 1.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 -1.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2316 -2.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0758 -2.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3454 -4.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 1.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 4.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 4.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 21 1 0 0 0 0 3 43 1 0 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$