D00177 -OEChem-05072121462D 45 48 0 1 0 0 0 0 0999 V2000 2.8680 -0.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 1.0410 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 -0.4499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 0.0501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 1.0501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1950 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0002 0.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 1.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 0.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7867 0.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -1.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7858 -0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3786 0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9995 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 1.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 0.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 -2.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6774 -2.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3957 -2.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7922 -1.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 1.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 2.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 6 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 6 0 0 0 5 10 1 0 0 0 0 5 22 1 6 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 M END $$$$