BD2QN0 -OEChem-04012116142D 37 40 0 0 0 0 0 0 0999 V2000 7.7564 0.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9824 -1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.6867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.0772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3551 0.1024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 -0.5668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9643 -0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8779 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8959 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 -2.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7049 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9140 -3.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6185 -1.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7230 -2.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 2.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 2.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 3.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4964 -0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0279 0.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4989 -3.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6401 -0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9788 -3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1201 -1.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2894 -2.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$