CHEMBRIDGE-ZINC04662894 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -1.9810 1.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -2.4900 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -1.9830 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -2.4820 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -1.6090 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -2.1040 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -3.4680 4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -4.3470 3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -3.8530 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -5.7260 3.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -6.3690 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -7.8500 2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -8.5240 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -7.8040 4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -6.3250 4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.9940 5.6280 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2150 -3.2250 6.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -5.1970 5.7970 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -0.1590 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.1370 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -3.5800 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -2.1380 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -2.3570 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -2.3360 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -0.5420 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -1.4240 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.5330 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -6.2780 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -5.8830 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -8.3300 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -7.9420 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -8.4660 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -9.5680 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -8.2520 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -7.8960 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -5.8070 4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -6.2340 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5130 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.1410 0.7960 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 45 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END