DR0526 -OEChem-05042004132D 49 51 0 1 0 0 0 0 0999 V2000 4.6420 4.5360 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5961 -1.5294 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 -4.5360 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 0.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 3.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 4.0260 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7205 3.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 1.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1166 2.4914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 1.4914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.0327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1166 1.4914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0106 3.0261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9166 2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9166 1.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 2.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 2.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 4.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 3.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5846 1.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5846 2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -3.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -3.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -3.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 0.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4695 3.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5275 2.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1257 3.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 0.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 0.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1257 0.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5275 1.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6190 4.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 4.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 4.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 0.3368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 0.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 -0.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -3.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -3.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 27 1 0 0 0 0 3 31 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 5 17 2 0 0 0 0 6 21 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 44 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 6 0 0 0 13 14 1 0 0 0 0 13 19 1 6 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$