IFLAB-ZINC02457486 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0910 0.8940 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -0.4190 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -0.8430 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0410 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -0.3680 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 0.4980 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 1.8100 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 2.2440 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 1.3690 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.7830 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 0.0830 -0.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 0.6190 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 -0.5240 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 -1.4330 -1.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 -1.9910 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -0.8670 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -1.6800 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6620 -1.1720 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6950 -2.6040 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1100 -2.7930 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 -3.6930 -4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 -3.8430 -5.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2610 -4.6300 -4.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.2250 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -1.1140 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -1.8730 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -1.4050 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 2.5380 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 3.2760 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 2.8050 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 1.2890 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 1.1960 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 -0.1070 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 -1.1200 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -2.6440 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -2.6050 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -1.3050 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -0.3150 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -3.5780 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 -2.1760 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5460 -1.8180 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7490 -3.2210 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7020 -4.6830 -4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4780 -3.2660 -5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8240 -3.1740 -6.0750 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 M CHG 1 45 -1 M END