D08JUW -OEChem-04152109252D 42 43 0 1 0 0 0 0 0999 V2000 5.4641 1.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8769 -1.6424 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 -0.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 -0.6719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8988 -1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 -1.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7359 -1.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6236 -0.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 22 1 0 0 0 0 6 37 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 15 9 1 6 0 0 0 9 20 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 21 2 0 0 0 0 12 24 1 0 0 0 0 12 26 2 0 0 0 0 13 26 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 1 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 2 0 0 0 0 25 36 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$