B3UBO1 -OEChem-04012112552D 41 44 0 0 0 0 0 0 0999 V2000 6.3981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 3 13 1 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$