B86DPI -OEChem-04022100452D 54 57 0 1 0 0 0 0 0999 V2000 3.6730 3.5039 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 3.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 3.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2046 -0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 -0.2319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 4.5039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 1.0556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8368 1.0556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9819 0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0907 -1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 -2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 -1.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -3.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 -4.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -4.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -4.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 0.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 1.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 0.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 0.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 1.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 2.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 2.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 1.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 2.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 1.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -0.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -0.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 0.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -0.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 -0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 4.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 4.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 -2.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -2.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 -1.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -1.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -2.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -2.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 -3.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2202 -4.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -4.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 -5.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 4 17 2 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 41 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 M END $$$$