CHEMDIV-ZINC04688093 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 0.0480 1.7540 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 1.5180 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 2.3550 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 2.0870 3.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.8580 3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -0.1020 2.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 0.7610 4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 1.6570 4.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8940 3.0110 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 3.5280 5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1430 3.8430 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3330 3.0650 5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 1.7180 4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 1.0750 4.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 1.0900 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 0.1340 3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9670 -0.4750 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1140 -0.1370 3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0420 0.8070 4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 1.4190 5.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 1.3280 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 1.9550 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 1.2900 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 1.8800 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 3.1360 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 3.8040 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 3.2180 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 0.6830 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 2.3070 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 2.1490 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 0.4540 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 1.6280 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 2.1460 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 3.4240 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 2.8320 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 1.0310 5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -0.2710 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 4.1300 3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 4.7540 5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 3.6350 5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 2.8960 6.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 -0.1420 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0210 -1.2150 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0620 -0.6120 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9360 1.0630 5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 2.1330 5.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 1.4200 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 0.2600 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 0.3070 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 1.3580 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 3.5920 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 4.7810 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 3.7560 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 1.9780 0.8860 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6470 2.9890 0.9950 H 0 0 0 0 0 0 0 0 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 1 54 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 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 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END