LDUS12 -OEChem-05022322312D 35 37 0 0 0 0 0 0 0999 V2000 8.9962 2.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 4 18 2 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 11 2 0 0 0 0 6 17 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END $$$$