IBS-ZINC05086229 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.0460 1.5480 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.0480 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.6260 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -2.0230 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -2.7300 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.0930 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6840 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -3.1140 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -4.3240 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -4.0890 -0.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -4.7920 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -5.6560 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -5.4940 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -4.2950 -4.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -2.9950 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -4.3010 -5.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -3.2740 -6.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -5.6450 -6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -6.4350 -8.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -6.0570 -9.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -5.9110 -8.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 -4.9360 -7.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -5.3240 -6.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 1.9390 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.9100 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 1.9500 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.0610 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -2.5320 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.1680 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -6.0230 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -6.3850 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -6.4020 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -5.3550 -3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -2.7550 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.2030 -4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -6.3300 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -6.0800 -6.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -6.4180 -8.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -7.4220 -7.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -6.8170 -10.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -5.1120 -9.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -6.8910 -8.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5310 -5.5640 -9.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 -4.9070 -7.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -3.9240 -7.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -6.2960 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -4.5630 -5.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -5.4330 -7.1160 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2460 -4.4930 -7.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END