IFLAB-ZINC02712836 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.0370 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -2.5370 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -2.6840 3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.1420 4.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -3.4530 4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -3.3060 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -2.8520 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6080 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.3360 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0940 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -1.1520 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -0.1140 -5.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.1910 -6.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 0.7320 -7.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -1.2980 -6.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -1.3580 -7.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -2.3180 -5.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -3.3090 -6.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -2.2590 -4.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -3.0060 -4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.2080 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.3400 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.4610 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.4420 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -3.2570 5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -3.8100 5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -3.5480 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -2.7410 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.4090 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -2.0890 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.7640 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 M END