COMGENEX-ZINC06688163 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.6800 1.1280 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.1440 0.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1070 -0.9470 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.6180 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.6940 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.9640 2.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -0.8090 2.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0140 -0.1750 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 0.1320 0.6120 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -2.1270 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -3.2110 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -4.4140 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -4.5560 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -3.4960 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -2.2800 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -1.1960 3.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4700 -1.2190 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -1.4300 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.2540 4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 0.5370 6.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 0.1790 8.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.8000 8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.4030 6.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 0.9480 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 1.4880 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.9290 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -3.1260 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -5.2380 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -5.4940 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -3.6550 2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -0.2380 4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -1.3850 2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 -1.9660 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -2.1400 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.9710 3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 0.4410 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 0.3000 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 1.2550 6.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 1.0400 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -0.4550 8.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 1.0770 8.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -2.2500 8.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -2.4900 8.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.3270 6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.8060 7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -0.6550 6.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -0.5820 8.9610 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5290 -0.8580 9.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.0300 9.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 47 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 47 1 M END