COMGENEX-ZINC06687765 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.2880 1.3090 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.1640 0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -0.3290 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.6740 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -0.2790 1.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.6450 1.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.0390 1.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 -3.1080 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -1.1670 -0.1500 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -1.7630 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -0.5540 3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -0.2880 3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -1.2250 4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -2.4270 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -2.7020 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -3.8590 1.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -4.7420 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -2.2780 3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -3.3490 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -4.9130 3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -6.2310 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -5.0950 5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 1.9060 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 1.6800 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.5090 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 0.1970 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 0.6500 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -1.0190 4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -3.1270 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -5.1860 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -4.2390 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -5.5560 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -1.4970 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.7100 3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -4.1740 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -2.9370 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -4.4880 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -6.6160 4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -6.1240 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -6.9890 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -5.8080 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -4.1480 5.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 -5.4710 5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -3.9090 4.0560 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6400 -3.1220 4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -4.3260 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 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 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 20 44 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 44 1 M END