B98ATH -OEChem-04022109492D 79 80 0 1 0 0 0 0 0999 V2000 2.8660 -0.8450 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 5.1550 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -0.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -3.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -3.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -3.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 3 1 6 0 0 0 23 3 1 6 0 0 0 18 4 1 1 0 0 0 24 4 1 1 0 0 0 5 23 1 0 0 0 0 5 31 1 0 0 0 0 6 24 1 0 0 0 0 6 32 1 0 0 0 0 26 7 1 6 0 0 0 34 7 1 1 0 0 0 25 8 1 6 0 0 0 8 67 1 0 0 0 0 27 9 1 1 0 0 0 9 69 1 0 0 0 0 28 10 1 6 0 0 0 10 70 1 0 0 0 0 29 11 1 1 0 0 0 11 71 1 0 0 0 0 30 12 1 6 0 0 0 12 72 1 0 0 0 0 13 35 1 0 0 0 0 14 35 2 0 0 0 0 15 37 1 0 0 0 0 16 37 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 58 1 0 0 0 0 28 31 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 35 1 1 0 0 0 31 62 1 0 0 0 0 32 33 1 6 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 68 1 0 0 0 0 36 38 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 75 1 0 0 0 0 40 42 2 0 0 0 0 40 76 1 0 0 0 0 41 43 2 0 0 0 0 41 77 1 0 0 0 0 42 43 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 M CHG 4 1 1 2 1 13 -1 15 -1 M END $$$$