D00231 -OEChem-05072121472D 37 37 0 0 0 0 0 0 0999 V2000 4.5981 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 20 1 0 0 0 0 2 36 1 0 0 0 0 3 21 1 0 0 0 0 3 37 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 19 1 0 0 0 0 8 22 3 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$