BARB91 -OEChem-04012118422D 47 50 0 1 0 0 0 0 0999 V2000 4.4060 5.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -4.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.7137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5298 1.7137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3958 0.2137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5836 0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 3.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 3.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 4.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1381 5.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -5.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -0.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 2.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 -0.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 0.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -0.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 2.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 0.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 3.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 1.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -0.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 3.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -2.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -2.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 4.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6738 5.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 5.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 -5.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -5.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -5.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 25 2 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 27 1 1 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 28 1 1 0 0 0 7 13 1 6 0 0 0 7 29 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 12 34 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 23 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$