IFLAB-ZINC04247454 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.0370 1.4450 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.0740 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.5790 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -2.1070 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -2.6130 -2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -4.1430 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -4.6550 -3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -4.9720 -4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -5.4270 -6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -5.7610 -7.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -6.2030 -8.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -6.3710 -8.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -6.7920 -9.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -6.0330 -7.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -5.5650 -6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -5.2530 -4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -4.7830 -3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -4.4380 -2.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -4.3370 -2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 -3.7630 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 -2.5050 -1.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -5.6270 -7.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -6.7530 -7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -6.6170 -7.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -5.3600 -7.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.2350 -7.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -4.3670 -7.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 1.8520 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.8620 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.7840 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.4590 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -0.4490 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.1870 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -0.1970 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -2.4990 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -2.4890 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -2.2190 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -2.2220 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -4.5520 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -4.5280 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -4.8540 -4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -6.4610 -9.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 -5.3870 -4.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -5.3290 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 -3.6610 -3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -7.7380 -7.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -7.4920 -7.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -5.2560 -7.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -3.2560 -8.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -3.4810 -7.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -4.6120 -0.5750 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 17 2 0 0 0 0 8 9 2 0 0 0 0 8 41 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 22 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 51 -1 M END