B8FHY2 -OEChem-04022107372D 39 42 0 0 0 0 0 0 0999 V2000 8.1263 2.4573 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 -3.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6263 3.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6263 1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9243 -0.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -0.5427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -0.5080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.0635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 2.9573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -2.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -2.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -3.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 0.1119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7972 0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -2.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 -2.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 2.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 22 2 0 0 0 0 5 27 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 27 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 28 3 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 29 1 0 0 0 0 17 23 2 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 24 2 0 0 0 0 19 32 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 M END $$$$