IFLAB-ZINC02722048 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0560 1.0570 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.0260 -0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -0.5720 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.0750 1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -0.6260 3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.6880 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -2.1880 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -1.6350 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -2.1230 -0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 -3.2130 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -2.2790 4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -3.2030 3.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -1.7950 5.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -2.4220 6.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -1.9120 7.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -2.8460 8.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 -2.7660 8.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -3.9110 7.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -3.6410 6.8790 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4170 -4.5120 6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -5.6970 7.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -6.0130 8.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -5.1100 8.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -0.6130 7.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 0.2740 8.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 1.4250 7.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 1.4910 6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 0.0340 5.5020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 1.8760 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.3990 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.7200 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 0.7460 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -0.2380 4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -3.0080 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -2.9070 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -4.0580 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -3.5040 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -1.0120 5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -4.2720 5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -6.3870 6.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -6.9470 8.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -5.3250 9.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 0.0930 9.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 2.2150 8.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 2.3170 5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 19 1 M END