D02IRC -OEChem-10101305022D 31 31 0 1 0 0 0 0 0999 V2000 5.4641 -0.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 31 1 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 17 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$