B1A8BU -OEChem-04022107042D 46 49 0 1 0 0 0 0 0999 V2000 4.2320 1.2974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 5.2974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -4.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.6074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.7974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.0686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3660 0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -4.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 1.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 -0.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 0.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 1.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3101 2.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 2.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 3.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3101 4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 3.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 4.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 5.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 5.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -4.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -4.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -6.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 6 0 0 0 1 8 1 0 0 0 0 1 28 1 0 0 0 0 2 14 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 45 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 1 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$