DR0509 -OEChem-05042004232D 57 58 0 1 0 0 0 0 0999 V2000 9.6598 4.9606 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5288 4.4128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 5.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 7.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 1.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 7.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5288 6.6598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 9.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 4.6353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1200 5.5363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5539 6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7513 7.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 6.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 3.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 5.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0183 8.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 6.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 4.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2957 2.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 4.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1106 6.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1106 5.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3181 3.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 9.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 9.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 4.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 6.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3226 7.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0877 8.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 8.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 7.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 7.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 3.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 2.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 4.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 6.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 4.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 1.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 3.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 10.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 10.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 9.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3791 8.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 9.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 10.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 7.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 5.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 0.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6598 4.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 57 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 10 3 1 1 0 0 0 3 28 1 0 0 0 0 4 11 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 28 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 18 2 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 27 2 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END $$$$