LAIE79 -OEChem-05022322393D 37 39 0 1 0 0 0 0 0999 V2000 5.0814 -1.0170 -0.8729 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2564 0.2152 -0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5687 -0.3621 0.2761 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7784 1.1562 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 1.7092 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 0.7280 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -0.4510 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 0.8612 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 -1.5179 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 -0.2068 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 -1.3876 0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 -0.0980 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8957 -1.2380 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 1.1472 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 -1.1330 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1232 1.2523 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 0.1122 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0983 -2.3644 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7614 2.5944 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0371 -0.7666 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 1.4253 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 1.5987 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 1.6773 -1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 2.7295 -0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 1.7758 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 -2.4314 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 -2.2233 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0401 -0.8564 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 -2.2165 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 2.0477 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 -2.5139 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6582 -2.2817 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4753 -3.2628 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3204 2.8571 -0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 2.6104 1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0171 3.3832 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5482 1.1326 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 M END $$$$