DR0751 -OEChem-05042004202D 40 40 0 0 0 0 0 0 0999 V2000 7.6632 2.5772 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 3.6906 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.7765 1.2504 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2451 0.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5529 -0.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3212 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 3.5169 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6029 2.2352 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7235 2.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -1.0929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9943 0.5242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 -0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5293 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -1.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -3.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -3.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 -1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -3.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -1.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 2.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 1.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 0.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -2.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -3.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -3.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -4.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -0.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 17 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 25 2 0 0 0 0 21 34 1 0 0 0 0 22 26 2 0 0 0 0 22 35 1 0 0 0 0 23 27 2 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 4 2 1 3 1 7 -1 8 -1 M END $$$$