BJ2VE8 -OEChem-04022101522D 45 48 0 0 0 0 0 0 0999 V2000 5.4641 1.1970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -1.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -2.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 -2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1130 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 6 1 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 5 19 2 0 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 13 22 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 33 1 0 0 0 0 17 21 2 0 0 0 0 17 35 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 20 25 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 26 1 0 0 0 0 22 39 1 0 0 0 0 23 27 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$