DR0670 -OEChem-05042003133D 39 41 0 0 0 0 0 0 0999 V2000 -4.1777 -4.0708 -0.0382 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5706 -0.8165 -0.0017 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -1.3809 1.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 -1.3265 -1.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -0.1341 0.0148 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 3.2042 -1.1997 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -1.1058 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.1988 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 -0.9279 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -0.0819 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -1.0447 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 -1.0781 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1308 -0.9558 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -0.9891 1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 1.2670 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 -2.4504 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 0.9309 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 1.9149 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3947 -2.5450 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4383 1.9454 -1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1251 -1.3677 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 3.2105 1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 3.8055 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 5.1955 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2107 -1.0638 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 -1.1235 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 -0.9026 -2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 -0.9616 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4023 -3.3549 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 1.3622 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 1.0710 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 1.3863 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6206 1.4264 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 1.4927 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2109 -1.3742 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 3.7291 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 5.5301 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 5.8892 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 5.2426 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 5 10 1 0 0 0 0 5 21 2 0 0 0 0 6 20 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$