LJ2W0Q -OEChem-05022321282D 43 45 0 0 0 0 0 0 0999 V2000 9.8418 0.2885 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1183 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 -1.1128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 -0.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0932 -1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6865 -2.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0877 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0109 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2742 -2.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6755 -1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2688 -2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0627 -0.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 0.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 -2.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3399 -0.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 -1.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0221 -3.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2921 -1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6332 -3.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 19 2 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 4 33 1 0 0 0 0 5 13 1 0 0 0 0 5 14 2 0 0 0 0 6 20 2 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 16 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$