CHEMBRIDGE-ZINC04977680 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0080 1.4010 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.1090 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.8540 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.2660 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -2.9250 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -2.1990 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.7940 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.0900 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 1.6410 -3.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.4180 -3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.4960 -4.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 0.4580 -3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -0.3230 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 1.6280 -5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 0.7580 -5.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 0.9070 -6.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 1.8900 -6.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 2.7290 -6.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 2.6180 -5.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -2.9010 2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -4.3200 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.1450 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 1.8010 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 1.8550 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 1.7310 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -4.0090 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -2.7560 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.7890 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 0.6440 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 2.3240 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 1.0760 -4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 3.0960 -4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 3.0490 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 -0.2650 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 0.9350 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -0.9050 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -0.9880 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 0.1850 -6.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 1.9950 -7.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 3.5440 -7.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -4.6540 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -4.7810 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -4.6430 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 0.1220 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.7620 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 0.7600 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 0.6310 -2.6990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9110 1.1540 -1.8320 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END