D0T5SZ Wcorina 11010620233D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 31 33 0 1 0 999 V2000 -0.0159 1.3208 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 2.0316 0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.6661 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 1.4365 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 6.1063 0.0884 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 2.1588 0.0211 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 4.7989 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 0.0544 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5096 5.1379 0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4239 4.2689 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2823 6.5254 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4554 6.2301 0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4746 7.1332 0.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9945 3.8762 0.0278 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9837 6.9699 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9499 4.9873 0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 -2.0515 -0.0196 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 2.3810 -0.0209 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 4.1749 -1.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 -0.4553 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 3.1997 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4992 6.4700 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 4.0304 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 8.0289 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4961 4.0622 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 -2.5454 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -2.5275 -0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 5.2091 -1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 3.5075 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 4.0207 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 18 1 0 0 0 0 4 9 2 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 16 2 0 0 0 0 7 15 1 0 0 0 0 8 15 1 0 0 0 0 8 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$