DR1588 -OEChem-05042004222D 50 52 0 1 0 0 0 0 0999 V2000 8.1097 -1.7923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 -3.4734 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1144 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 2.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -0.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 0.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -4.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 0.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 0.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 -0.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -2.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -3.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 -1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 -4.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 40 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 6 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 M END $$$$