BR5L2F -OEChem-04012117432D 42 44 0 0 0 0 0 0 0999 V2000 4.0981 1.2884 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 3.6362 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 3.3575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.3373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1538 4.3356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6891 2.6883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6859 2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3768 3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9949 3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9459 3.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 4.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0503 1.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 0.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 4.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 4.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 4.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7435 4.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6931 4.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -5.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2787 2.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 23 1 0 0 0 0 5 20 1 0 0 0 0 5 25 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 22 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 22 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 16 21 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 21 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$