B5XUT4 -OEChem-04012115492D 30 32 0 1 0 0 0 0 0999 V2000 4.5121 -2.3834 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 -0.8834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -0.2956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1569 2.4156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2441 -2.3834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.2956 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8781 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4659 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9659 3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7749 2.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 0.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9429 1.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 0.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5672 2.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8303 0.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -2.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9659 3.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3646 2.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2441 -3.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7811 -2.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 9 2 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 23 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$