CHEMBRIDGE-ZINC04662894 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.0860 1.2810 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.1300 -0.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5160 -0.8320 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.2200 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -1.5320 1.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -2.0230 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -1.9390 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.2240 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -1.5480 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.2350 4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -3.6330 4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -4.3790 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -3.6340 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -5.7590 3.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -6.5070 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -7.6690 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -8.5230 3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -7.6630 4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -6.5080 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -4.2930 4.9430 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7010 -4.8020 5.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -4.2570 4.5990 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1290 1.6130 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 1.3250 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.9950 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.0260 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 0.5600 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -3.0500 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -1.3990 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -2.6180 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -2.1550 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -0.4620 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -1.6780 4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -4.1940 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -6.8960 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -5.8730 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -8.2900 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -7.2850 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -9.0270 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -9.3060 4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -8.2800 4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -7.2610 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -5.8740 4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -6.8940 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.5470 -0.1590 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0360 0.1190 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -0.5060 -1.1250 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 45 47 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 45 1 M END