BTU97O -OEChem-04022108573D 32 32 0 1 0 0 0 0 0999 V2000 0.9911 3.2784 0.9883 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -0.1449 1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0544 0.5096 0.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 -1.5582 0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -0.3424 -0.9058 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 1.2811 -0.7849 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1396 0.6456 -1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 2.3855 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 -0.0421 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 0.1965 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -1.3848 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 0.6811 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -1.3827 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 -2.0206 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1824 0.0455 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 -1.3054 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 -0.8423 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 1.7579 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 1.4197 -2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 -0.0775 -2.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 1.9700 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0069 3.1281 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 -1.9534 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 1.7326 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 0.0049 -1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -1.9712 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 -2.0137 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -3.0726 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 0.6022 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5264 3.7560 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7688 -1.8004 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8859 0.8360 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 30 1 0 0 0 0 2 10 2 0 0 0 0 3 17 1 0 0 0 0 3 32 1 0 0 0 0 4 17 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$