D03TPB Wcorina 10100417203D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 41 43 0 0 0 0 0 0 0999 V2000 0.6862 -1.1949 6.7497 I 0 0 0 0 0 0 0 0 0 0 0 0 -5.1342 -2.7812 -1.7182 I 0 0 0 0 0 0 0 0 0 0 0 0 6.1729 6.8427 0.0211 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 1.6252 0.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 1.4370 0.3007 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 3.4981 0.0101 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -0.0097 0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 -0.2902 1.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -0.6657 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1223 -1.2865 2.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8709 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4557 0.4527 2.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3357 -0.0651 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1942 2.1672 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -1.5440 3.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 -2.4728 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 0.1959 4.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 -0.6668 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 -0.8045 4.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 -1.8695 -0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 4.2708 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4679 3.7520 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 5.5595 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 4.5167 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 6.3199 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5963 5.7986 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.4088 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 1.8687 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -1.8640 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 -2.3419 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 1.2339 2.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 0.8742 0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 -3.4140 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9038 -2.3228 4.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4429 -0.1973 -0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9067 0.7761 4.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 3.9205 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 2.7513 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 5.9670 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5352 4.1136 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4066 7.3223 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 26 1 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 28 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 17 2 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 13 32 1 0 0 0 0 15 19 2 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$