B39LYE -OEChem-04012114242D 41 43 0 0 0 0 0 0 0999 V2000 7.1962 -1.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.1550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -3.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 26 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 18 2 0 0 0 0 6 10 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 25 3 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 23 2 0 0 0 0 17 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 3 0 0 0 0 28 41 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$