DR0868 -OEChem-05042004072D 40 42 0 1 0 0 0 0 0999 V2000 7.2101 -2.9212 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 -2.5088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 1.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 -1.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 -3.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.0376 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 1.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 -3.2530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.8424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 2.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 3.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 4.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 2.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -0.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 0.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -3.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -3.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 18 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$