DR1536 -OEChem-05042004182D 46 48 0 0 0 0 0 0 0999 V2000 12.4506 -2.7531 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 2.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4506 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 -1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5845 -1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9506 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9506 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 -2.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5845 -2.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6906 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6906 -2.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 -1.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 -0.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9272 -1.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5286 -0.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4875 -0.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2606 0.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4136 0.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4875 0.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6406 0.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4136 -0.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5286 -2.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9272 -2.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6978 -0.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6978 -3.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2488 -2.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 1.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 2.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 -0.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 2.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 2.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 1.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 23 2 0 0 0 0 4 18 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 3 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$