CHEMBRIDGE-ZINC04313708 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.3030 1.0470 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -0.2540 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -0.7640 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -0.0280 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5470 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -1.8000 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -2.5410 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0290 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -2.7800 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -4.1240 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -4.6900 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -4.9240 0.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7540 -4.7420 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -4.5010 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -5.3130 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -6.8020 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -7.2250 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -6.4130 0.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2020 -6.5940 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -6.8300 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -6.0190 -1.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -2.3510 1.3020 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7940 -1.6990 1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -3.4550 1.8160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6500 1.3330 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 1.0340 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.7660 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 0.9520 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0280 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -3.5200 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.3330 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -3.4400 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -4.6820 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -5.1310 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -5.0110 2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -7.3800 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -6.9830 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -7.0440 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -8.2860 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -8.1020 -1.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -8.3220 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END