B3JXS1 -OEChem-04022106572D 46 47 0 1 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.0000 0.0000 O 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 5.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 2 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 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 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 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 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 4.5981 -1.5000 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 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 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 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 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 2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8800 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 2.6540 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1900 0.0000 H 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 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 2.3291 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8100 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 6.8671 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8100 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 2.5560 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 5 15 1 0 0 0 0 5 40 1 0 0 0 0 6 15 2 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 10 8 1 6 0 0 0 8 11 1 0 0 0 0 9 20 1 0 0 0 0 9 26 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 16 25 2 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 24 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$