BL1HN7 -OEChem-04012114022D 45 48 0 1 0 0 0 0 0999 V2000 2.0000 1.6425 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 3.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4142 3.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -3.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.6425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4142 1.6425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 0.9354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4142 1.6425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7071 2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5731 -0.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 -0.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9142 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5731 -1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 -1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 3.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 1.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 3.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9142 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 0.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 1.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7242 1.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 -0.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 3.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 -1.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -1.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 0.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 3.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 1.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 3.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -3.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7242 1.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7242 3.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5342 2.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 42 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 8 6 1 6 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 1 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 13 18 2 0 0 0 0 13 33 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 34 1 0 0 0 0 16 22 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$