B2XT3K -OEChem-04012115402D 43 45 0 0 0 0 0 0 0999 V2000 6.9146 2.2931 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 -1.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5214 -1.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 0.2227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -3.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 -4.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5703 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 -5.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6588 -5.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9634 -2.5461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -3.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 -2.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -2.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3359 0.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 0.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -4.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 -3.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 1.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 -6.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2485 -5.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -6.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 28 1 0 0 0 0 6 43 1 0 0 0 0 7 28 2 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 8 34 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 35 1 0 0 0 0 10 16 2 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 25 1 0 0 0 0 18 36 1 0 0 0 0 19 26 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 22 24 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$