IFLAB-ZINC04139352 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.3250 1.4040 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -0.0840 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -0.8790 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -2.2660 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -2.8730 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -2.0880 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -0.7000 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -4.3420 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -4.9430 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -4.9810 -0.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -6.4290 -0.9700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3010 -6.8630 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -6.9110 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -6.8460 -2.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1760 -6.5480 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -6.1120 -3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -4.9730 -3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -4.5430 -5.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -5.3680 -5.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -6.6580 -4.4460 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -8.7230 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -10.2390 -3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -10.6670 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -9.1600 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -12.4220 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.6670 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 1.9120 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.7800 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -0.4210 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -2.8670 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -2.5270 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -0.0960 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -4.4500 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -6.3600 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -6.7410 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -7.9790 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -4.4620 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -3.6710 -5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -5.2750 -6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -8.2090 -4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -8.3530 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -10.4450 -4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -10.5570 -4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -11.0210 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -11.1850 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -8.7780 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -8.9860 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -12.8100 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -12.6530 -3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -12.9650 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -8.3730 -2.3990 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6640 -8.6830 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -10.9810 -2.4550 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 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 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 51 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 53 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 51 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 53 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END