LE0GU3 -OEChem-05022323172D 42 46 0 0 0 0 0 0 0999 V2000 8.3579 3.2517 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6471 -4.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 -3.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8612 4.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8545 2.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 0.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 0.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 -0.0982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 1.5113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2258 3.7483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 1.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 2.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6898 2.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -2.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 3.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -3.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 -2.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 -1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6358 -4.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0953 -1.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4938 -1.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0152 1.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 3.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -3.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5854 3.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -0.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 -1.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5071 -4.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2254 -4.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 4.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7615 3.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 23 1 0 0 0 0 2 28 1 0 0 0 0 3 25 1 0 0 0 0 3 28 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 12 2 0 0 0 0 7 16 1 0 0 0 0 8 27 2 0 0 0 0 9 15 2 0 0 0 0 9 27 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 27 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 16 18 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 22 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 26 36 1 0 0 0 0 28 37 1 0 0 0 0 28 38 1 0 0 0 0 M END $$$$