B1AU8W -OEChem-04022105262D 55 57 0 0 0 0 0 0 0999 V2000 9.6906 -0.4948 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6906 -1.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6906 0.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1906 -1.3608 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.1906 0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 -0.4948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 0.3713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6906 -0.4948 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6906 -0.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 -0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 1.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 -0.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6906 -0.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1906 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1906 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 -0.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 -1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 -0.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 0.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 0.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 -1.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 -1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7733 0.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 0.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 -1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7733 -1.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 -1.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 1.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -1.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -1.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 2.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 1.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -0.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 1.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 0.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8806 -1.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8806 0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5006 -1.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5006 0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 23 1 0 0 0 0 2 20 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 8 47 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$