B5UJC2 -OEChem-04022100222D 33 35 0 0 0 0 0 0 0999 V2000 3.0000 -1.2215 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 -0.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9706 1.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 2.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 2.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7676 3.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 4.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1689 4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 0.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 0.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7144 1.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 3.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3733 3.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 4.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 12 17 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 15 20 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 M END $$$$