IFLAB-ZINC04279116 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 0.4880 1.6510 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.2240 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.1190 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -2.1360 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -2.6940 -2.5650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1610 -2.8460 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -3.9820 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -4.3290 -4.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -5.5970 -4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -5.9340 -6.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -6.2010 -5.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -6.4270 -6.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -6.5550 -6.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 -6.7870 -7.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -6.9040 -8.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -6.7760 -8.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -6.5410 -7.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -7.1620 -9.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 -8.4920 -9.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -7.2640 -10.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 -6.0100 -9.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -1.6730 -3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -2.1330 -4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 1.8070 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 1.8890 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 2.3680 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 0.0910 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.0610 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 0.5740 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.1300 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.1300 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -2.6520 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -4.7780 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -3.8250 -3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -6.3630 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -5.5320 -5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -6.8260 -6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -5.0810 -6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -6.4700 -5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 -6.8760 -6.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -6.8540 -9.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -6.4590 -8.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 -9.3290 -9.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 -8.7180 -9.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 -8.4690 -8.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -6.3390 -11.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 -7.4480 -11.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -8.0890 -11.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 -5.9350 -8.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8580 -6.1520 -10.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 -5.0450 -9.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.6970 -1.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8560 -0.4060 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.6390 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 52 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END