B81UOK -OEChem-04012117462D 43 45 0 1 0 0 0 0 0999 V2000 5.6454 1.6901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -1.7670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 -1.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -1.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 -2.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.2120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 0.2026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.7390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0274 -0.2120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5274 1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -0.7880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3424 -0.9967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7123 -0.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6827 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 2.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 -2.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -0.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -1.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -1.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 -1.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7714 -0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 -0.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 0.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 1.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 -2.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 2.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 2.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 2.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7782 -1.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7289 -2.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6043 -2.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 -2.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 14 3 1 1 0 0 0 3 36 1 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 19 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 1 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 17 20 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$