IFLAB-ZINC05145117 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8050 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.5560 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3050 -2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -3.6390 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -4.3920 -1.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -4.1840 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -4.4920 -5.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -4.9740 -5.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -5.0750 -5.3620 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -4.4500 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -4.2410 -2.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 -4.5370 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 -4.9870 -4.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -4.3140 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 -4.6190 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8960 -4.4090 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 -3.8980 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -3.5940 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 -3.7930 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 -3.6750 1.3700 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5640 -3.9420 1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 -3.2250 2.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8730 -5.3800 -7.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -4.2870 -5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -1.7060 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -3.8830 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -5.0190 -2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9430 -4.6450 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -3.1950 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -3.5500 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -4.5240 -8.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -6.1830 -7.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -5.7280 -7.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -3.2830 -5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -5.0220 -5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -4.4070 -4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END