BAU81E -OEChem-04022105332D 82 86 0 1 0 0 0 0 0999 V2000 4.5981 -3.4580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -4.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -4.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9580 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1424 -5.2627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -3.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -4.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -3.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -3.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -5.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 4.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 3.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -3.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -2.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -1.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 19 1 0 0 0 0 21 2 1 1 0 0 0 5 19 2 0 0 0 0 6 31 2 0 0 0 0 7 35 1 0 0 0 0 7 43 1 0 0 0 0 8 40 1 0 0 0 0 8 44 1 0 0 0 0 9 42 1 0 0 0 0 9 46 1 0 0 0 0 10 45 1 0 0 0 0 10 82 1 0 0 0 0 11 45 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 13 31 1 0 0 0 0 13 66 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 1 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 23 27 2 0 0 0 0 23 58 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 30 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 27 61 1 0 0 0 0 28 31 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 35 1 0 0 0 0 33 67 1 0 0 0 0 34 36 2 0 0 0 0 34 68 1 0 0 0 0 35 39 2 0 0 0 0 36 39 1 0 0 0 0 36 69 1 0 0 0 0 37 40 1 0 0 0 0 37 70 1 0 0 0 0 38 41 2 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 43 45 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 M END $$$$