B1RU3Y -OEChem-04012119282D 55 58 0 1 0 0 0 0 0999 V2000 4.4487 0.3599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 3.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.8599 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9930 -1.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.8544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 -3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 -2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 -3.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2177 -3.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5283 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 1.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 2.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.7355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 1.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 2.7558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -1.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -2.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 -3.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 3.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 4.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 4.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1788 -4.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7574 -1.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7639 -4.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3426 -1.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6317 -2.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1143 -4.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 -4.2986 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 14 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 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 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 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 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$