B9H5SN -OEChem-04022105352D 49 50 0 1 0 0 0 0 0999 V2000 5.4641 -1.1900 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -2.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -3.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 5.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 5.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 -2.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 45 1 0 0 0 0 4 13 1 0 0 0 0 4 46 1 0 0 0 0 6 27 1 0 0 0 0 6 49 1 0 0 0 0 7 27 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 21 12 1 6 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 22 2 0 0 0 0 15 25 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 26 1 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 21 27 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 2 8 -1 11 1 M END $$$$