D0M2QA Wcorina 10100417203D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 29 30 0 0 0 0 0 0 0999 V2000 -3.1799 7.1674 -4.4336 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2602 3.1134 5.0922 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 1.4168 0.0098 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 2.2101 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 4.0278 -0.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 1.8797 -1.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 1.8941 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 3.6012 -2.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 1.0206 1.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 3.1398 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 3.1879 -1.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 1.3945 3.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 3.5145 3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 4.9548 -2.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 2.6392 -3.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3612 2.6431 3.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 5.3339 -4.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1565 3.0310 -4.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 4.3744 -4.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 1.2094 -1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 0.0460 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 3.8203 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 0.7123 3.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 4.4877 3.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 5.7041 -2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2453 1.5903 -3.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 2.2874 -5.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 4.6757 -5.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 6 12 2 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 16 27 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 M END $$$$