CHEMBRIDGE-ZINC01162464 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.3090 1.3090 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 0.7990 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 3.1670 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 3.6350 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 5.0880 1.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 5.8690 1.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2490 5.5180 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 7.2880 1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 8.3180 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 9.6510 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 10.5180 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 11.7890 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 11.8580 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 10.4010 3.2340 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 8.1150 1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 7.2690 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 8.1980 2.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 5.8460 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 5.4770 2.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 5.6900 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 5.0160 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 4.8120 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 5.2840 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 5.9620 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 6.1630 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 5.0550 -4.2890 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5030 4.5240 -4.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 5.3900 -5.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1120 0.2520 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 1.4930 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.9190 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 1.0100 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.2410 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.0000 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 3.6920 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 3.3440 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 3.2500 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 3.2600 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 10.2530 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 12.6090 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 12.6960 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 8.9670 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 4.6490 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 4.2900 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 6.3410 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 6.6920 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 1.6860 0.2790 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3970 1.5020 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 47 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 47 1 M END