B4TFR7 -OEChem-04012112262D 45 48 0 0 0 0 0 0 0999 V2000 6.4783 -1.0471 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5619 0.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0619 -0.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.2423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7889 1.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5619 -1.1084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0619 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0619 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0619 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5619 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0619 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 0.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 0.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 -0.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -1.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 1.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -1.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 -1.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3749 1.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3956 1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2519 -1.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7519 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7519 0.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3719 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3719 0.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 -2.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3719 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5988 -1.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 18 2 0 0 0 0 3 25 2 0 0 0 0 4 12 2 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$