B6T5RQ -OEChem-04012114592D 21 22 0 0 0 0 0 0 0999 V2000 2.8660 -1.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -0.8797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$