BU1QG7 -OEChem-04012114512D 55 59 0 0 0 0 0 0 0999 V2000 4.5981 5.1970 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.1970 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -5.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -4.8030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -3.0477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -6.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0597 -2.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0390 -2.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 34 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 52 1 0 0 0 0 8 29 2 0 0 0 0 9 29 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 20 23 2 0 0 0 0 20 44 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 30 2 0 0 0 0 26 32 1 0 0 0 0 26 47 1 0 0 0 0 27 33 2 0 0 0 0 27 48 1 0 0 0 0 28 31 2 0 0 0 0 28 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 M END $$$$