D0QN5I -OEChem-10101305032D 22 24 0 0 0 0 0 0 0999 V2000 6.0812 -0.1547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 1.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -2.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6677 1.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1334 3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4046 3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 M END $$$$