IBS-ZINC05423055 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.0980 1.5270 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -0.0030 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0020 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -2.5000 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -2.4020 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.8670 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -3.4350 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -3.5370 3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -3.0740 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -3.2260 2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -2.3480 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -2.5450 -0.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2610 -2.0200 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -4.0370 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -4.2260 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -2.7200 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -3.7820 1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -1.8120 0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -0.4580 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -0.0400 0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -0.8960 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -0.5150 2.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 -0.4300 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 0.4920 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -3.9320 4.5090 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6110 -3.8420 4.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -4.4320 5.4450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8680 1.9060 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.8840 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 1.8820 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.3580 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.3590 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -0.1780 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -0.1770 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -1.9590 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -2.7890 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -3.9800 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -4.2680 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -2.9240 3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -4.5460 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -4.4580 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -5.2890 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -3.7170 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -3.8050 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -1.1050 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 0.5830 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 -0.7490 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5280 0.1740 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 1.5040 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 0.4730 -1.1030 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 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END