CHEMBRIDGE-ZINC01164841 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0810 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0130 -2.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 0.3630 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 0.1210 -2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 1.1070 -4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.1280 -4.3230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0740 0.6030 -5.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 0.3970 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 0.1900 -2.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 2.5050 -4.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 2.8040 -4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 4.1100 -4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 4.4040 -5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 3.3950 -5.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 2.0900 -5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 1.7940 -5.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 3.6940 -6.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8730 2.4860 -6.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 2.8670 -7.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 3.5280 -6.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4150 4.7100 -6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0680 4.3480 -5.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2530 -0.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0800 -4.8640 1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.8600 -1.0710 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6280 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6190 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 0.5720 -5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 2.1220 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 3.2100 -3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 4.8940 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 5.4200 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 1.3050 -6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 0.7780 -5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 1.7760 -6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 2.0330 -7.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 1.9670 -7.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 3.5350 -8.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0680 5.1430 -5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 5.4320 -6.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 5.2530 -5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 3.6670 -4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 40 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END