B3KEG7 -OEChem-04022106372D 39 39 0 1 0 0 0 0 0999 V2000 2.8660 3.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 39 1 0 0 0 0 8 5 1 1 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$