B97IKN -OEChem-04012115012D 37 37 0 1 0 0 0 0 0999 V2000 4.2690 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -2.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -2.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 31 1 0 0 0 0 9 2 1 1 0 0 0 2 32 1 0 0 0 0 3 12 1 0 0 0 0 3 33 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 15 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 1 0 0 0 6 16 1 0 0 0 0 7 10 1 1 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 M END $$$$