B2QV8W -OEChem-04012113022D 54 55 0 1 0 0 0 0 0999 V2000 6.3301 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 -1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4797 -3.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4194 -2.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 -1.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 2 23 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 24 2 0 0 0 0 6 27 1 0 0 0 0 6 53 1 0 0 0 0 7 27 2 0 0 0 0 8 30 1 0 0 0 0 8 54 1 0 0 0 0 13 9 1 6 0 0 0 9 17 1 0 0 0 0 9 35 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 42 1 0 0 0 0 11 22 1 0 0 0 0 11 24 1 0 0 0 0 11 46 1 0 0 0 0 14 12 1 1 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 1 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$