B7D9LR -OEChem-04022105192D 49 49 0 1 0 0 0 0 0999 V2000 5.4641 -1.1550 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 1.8450 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 1 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 4.5981 -2.6550 0.0000 C 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 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 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 3.7320 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1550 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 4.5981 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 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 4.5981 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 0.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 11 1 0 0 0 0 3 23 1 0 0 0 0 4 37 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 48 1 0 0 0 0 8 16 2 0 0 0 0 9 27 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 12 10 1 6 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 25 1 0 0 0 0 19 35 1 0 0 0 0 20 26 2 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 28 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$