B9JES7 -OEChem-04012117372D 45 48 0 0 0 0 0 0 0999 V2000 10.7404 0.0547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -1.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.8629 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8629 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9118 -1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9118 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9918 -1.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4795 -1.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4795 -0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9918 0.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3749 -1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1640 -2.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1640 0.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3749 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 21 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 2 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$