BC5E8W -OEChem-04022100202D 38 40 0 1 0 0 0 0 0999 V2000 2.8660 -0.5365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 1.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 0.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.7492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8573 -2.1664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5629 -2.8749 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2686 -3.5835 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7403 -0.0407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7403 0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4124 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 -1.2010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0846 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7902 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7566 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3118 0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0175 -0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 -0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -0.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 -1.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5189 -1.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6285 -2.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9078 0.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1942 -1.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4735 0.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -0.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 13 2 0 0 0 0 3 17 2 0 0 0 0 4 19 1 0 0 0 0 4 35 1 0 0 0 0 5 19 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 18 8 1 6 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 2 9 1 10 -1 M END $$$$