B9QSC8 -OEChem-04022102202D 29 29 0 1 0 0 0 0 0999 V2000 4.4142 1.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3801 -0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 2.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 -0.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1554 -1.6901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.9830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7071 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -2.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6037 -3.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8284 -2.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1554 2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 3.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4698 1.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 1.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 0.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 -2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 -1.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 -3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4432 -3.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -3.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 -2.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 -1.9779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 -1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 2.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 3.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4241 3.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 14 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M END $$$$