IFLAB-ZINC05258115 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -1.5150 0.6910 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.4540 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -1.0330 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.0790 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -2.5620 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -1.9720 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -0.9190 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.4640 -2.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.0280 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -1.1450 -3.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -2.7860 -4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -1.8530 -6.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5330 -1.2340 -6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.7340 -7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -2.5530 -7.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 0.4470 -6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 1.1810 -6.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 2.9870 -7.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 4.3350 -8.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 4.8610 -7.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 3.4950 -6.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -3.6960 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 1.6400 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 0.6710 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 0.6370 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.6770 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -2.5160 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.4360 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -3.2280 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -3.3250 -4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -3.5440 -4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 0.3300 -7.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 0.9510 -5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 0.5560 -7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 1.2600 -5.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 3.0800 -7.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 2.2650 -8.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 4.2600 -9.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 4.7380 -8.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 5.6190 -6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 4.8100 -7.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 3.1610 -6.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 3.6110 -5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -4.5610 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -3.3830 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -4.0210 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -3.4380 -7.6390 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.9100 -5.9890 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2180 -1.4350 -6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.8800 -5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 2.5060 -7.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 5.3390 -7.6510 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8590 6.2140 -8.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 5.5810 -6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 48 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 51 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 52 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 20 52 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 51 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 1 M CHG 1 52 1 M END