COMGENEX-ZINC00751468 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.4030 0.9580 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.3830 0.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5800 -0.4650 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.5400 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -2.8500 0.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -3.0500 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -1.8600 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -0.5800 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.3340 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 1.4560 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -0.0610 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 0.5690 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8560 0.2270 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -0.7300 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -1.3430 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -1.0040 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -3.8060 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -5.1420 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -5.9930 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -5.6290 0.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -4.3230 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -3.4110 0.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -3.7120 0.9870 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -5.0000 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9530 -4.4020 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -3.7750 3.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -7.6770 0.0790 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 1.0000 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 1.7900 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 1.1170 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -1.4050 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -1.4870 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -3.9500 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -3.1570 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.8320 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -1.9930 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 1.3240 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 0.7100 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5170 -0.9910 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 -2.0770 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -1.4670 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -5.5330 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -5.2220 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -5.9180 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -4.6430 2.1160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 45 -1 M END