BU18OZ -OEChem-04012120202D 31 31 0 0 0 0 0 0 0999 V2000 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -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 0 0 0 0 0 0 0 0 0 0 4.3520 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -2.5000 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 6.0841 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 M CHG 1 2 1 M END $$$$