BKZ4T1 -OEChem-04022107492D 43 44 0 0 0 0 0 0 0999 V2000 4.5981 2.7780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.7220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -7.0880 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.3560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 7.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 8 26 1 0 0 0 0 8 28 1 0 0 0 0 9 27 2 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 11 21 1 0 0 0 0 11 31 1 0 0 0 0 12 27 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 27 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$