D06AIQ -OEChem-10101305022D 42 43 0 1 0 0 0 0 0999 V2000 2.5369 -3.8209 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 2.1736 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -0.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9146 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 1.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 2.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5703 3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 1.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6046 0.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4162 0.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9986 1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0853 1.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6501 2.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8921 2.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0339 2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 3.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 4.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 3.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -2.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -1.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 2 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 4 17 1 0 0 0 0 4 39 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$