IFLAB-ZINC02457763 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0860 1.6990 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 0.3620 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -0.3080 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.3640 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.6960 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 2.3630 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 4.0580 -0.7090 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 4.2930 -1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 4.2960 -1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 4.9310 0.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 4.8510 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 5.9760 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 5.9600 3.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 5.9580 2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 4.8480 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 5.9750 4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 5.9500 5.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 6.0210 5.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 6.1500 7.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 6.2060 7.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 6.0030 7.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -0.2300 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -1.4550 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -2.2970 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.6270 0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 2.2070 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.1600 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 2.2010 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 3.8790 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 4.9560 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 5.8980 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 6.9520 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 5.8460 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 6.9400 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 4.9620 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 3.8700 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 6.8760 5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 5.1000 5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 5.2990 7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 7.0580 7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -1.9920 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -1.2160 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -2.5060 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -3.2520 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 6.4470 9.1750 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 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 16 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 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 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 45 -1 M END