B97WLM -OEChem-04022105142D 38 39 0 0 0 0 0 0 0999 V2000 6.0010 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5350 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 3.7320 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -3.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -2.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 5.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 4.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 31 1 0 0 0 0 4 21 1 0 0 0 0 4 32 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 22 2 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 22 30 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$