IFLAB-ZINC04249405 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 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 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 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.5260 2.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.7630 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -2.5760 3.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -3.2290 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -3.4340 4.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -3.8720 5.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -3.9540 6.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -3.5660 5.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -3.5390 6.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -4.4270 7.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -4.0710 8.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -4.3580 7.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -5.0020 8.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -4.2570 9.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 -4.8960 9.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 -6.2760 9.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -7.0200 9.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -6.3870 8.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -7.1990 7.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -3.1730 3.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -2.7340 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -2.5140 1.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -3.3810 3.3230 C 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -2.5160 6.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -3.9170 5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -4.2670 8.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -5.4730 7.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -3.0120 8.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -4.6720 9.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.1800 9.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 -4.3180 10.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 -6.7730 10.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -8.0970 9.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -7.3400 6.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -8.1700 8.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -6.6730 7.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 -4.4030 2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -2.6820 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -3.2150 4.2960 H 0 0 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 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 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 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END