B3DTN0 -OEChem-04022107242D 54 56 0 0 0 0 0 0 0999 V2000 4.5981 4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 1 29 1 0 0 0 0 2 16 2 0 0 0 0 3 22 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 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 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 28 2 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$