B1QXG5 -OEChem-04012113022D 48 48 0 1 0 0 0 0 0999 V2000 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 19 1 0 0 0 0 2 44 1 0 0 0 0 3 19 2 0 0 0 0 4 11 1 0 0 0 0 5 11 2 0 0 0 0 12 6 1 1 0 0 0 6 17 1 0 0 0 0 6 33 1 0 0 0 0 15 7 1 1 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 18 1 0 0 0 0 8 26 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 46 1 0 0 0 0 10 26 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 2 4 -1 11 1 M END $$$$