B82MAO -OEChem-04022105192D 45 45 0 1 0 0 0 0 0999 V2000 5.4641 -0.2694 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 2.7306 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2306 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 1.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0794 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 12 1 0 0 0 0 3 21 1 0 0 0 0 4 33 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 45 1 0 0 0 0 8 17 2 0 0 0 0 9 12 1 0 0 0 0 13 9 1 6 0 0 0 9 29 1 0 0 0 0 10 16 1 0 0 0 0 10 25 1 0 0 0 0 10 38 1 0 0 0 0 11 23 1 0 0 0 0 11 25 2 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 23 2 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 26 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$