BB21QO -OEChem-04022101452D 28 29 0 1 0 0 0 0 0999 V2000 4.6783 -0.6357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.1690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.1690 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 -0.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 -1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -0.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 0.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$