DR0683 -OEChem-05042004262D 80 80 0 0 0 0 0 0 0999 V2000 7.4143 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 8.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 13.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 7.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 8.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9143 15.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7444 12.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 7.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 11.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 11.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 11.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 12.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8489 11.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 13.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8270 11.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3270 12.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8783 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0123 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5482 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5482 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2289 11.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7841 11.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1595 13.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3479 13.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6354 10.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3934 11.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8286 11.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7419 12.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2769 13.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4798 13.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6138 12.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4108 12.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 13.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8172 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0113 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 13.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 13.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 13.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 12.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4512 16.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3774 16.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 79 1 0 0 0 0 2 80 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 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