B56MJD -OEChem-04022101112D 57 59 0 1 0 0 0 0 0999 V2000 4.4487 1.3104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1497 -5.1213 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 4.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 0.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 2.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 2.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.8104 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9930 -0.4944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.8049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 3.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 3.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 5.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 -3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8605 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1712 -4.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 2.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 3.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 3.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 1.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 2.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 3.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -0.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -1.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 -2.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 -1.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 -1.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 4.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 5.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 5.5821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9790 -2.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5723 -3.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2682 -3.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 -4.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4743 -3.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8811 -3.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5573 -5.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1506 -5.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 30 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 21 2 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 26 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$