IFLAB-ZINC05258936 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 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 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 1.5130 -3.9960 2.4490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5880 -4.3920 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -4.4760 3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -4.0970 4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -3.5010 4.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -4.4200 5.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -4.0720 6.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -4.3510 8.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -3.8720 8.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -3.2520 7.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -3.2300 6.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -2.6480 7.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -3.2170 9.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -3.0770 10.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -4.0510 9.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -5.0630 8.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -4.4420 9.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -6.4080 8.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -7.0470 9.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -8.5620 9.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -4.4810 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -3.6850 1.0840 O 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 1.7840 -5.5600 3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -4.0100 4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.8970 6.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -1.5650 7.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -2.9030 7.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -2.6640 9.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -4.2700 9.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.0570 10.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -3.3080 11.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -5.0740 10.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -3.8410 10.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -6.8140 9.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -6.6810 10.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -8.9290 8.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -9.0420 10.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -8.7960 10.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.5270 2.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -2.1400 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -5.7970 1.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -6.0600 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 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 25 1 0 0 0 0 5 52 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 M END