IFLAB-ZINC04939568 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 1.3840 -0.6100 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.7710 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.3970 3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.7030 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 1.3180 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 1.5360 4.7990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5540 2.5880 4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 1.4930 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 2.2190 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 2.2960 2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 2.6740 2.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 3.3700 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 3.7200 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 4.4120 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 4.7540 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 4.4150 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 3.7250 1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2670 5.4170 -1.2550 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 0.7780 6.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 0.5620 6.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -0.2080 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -1.7030 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -0.2140 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -1.8580 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -0.3750 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -0.7260 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -0.8580 4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 1.3300 4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 2.7900 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 1.7380 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 1.6580 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 0.4600 4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 1.9510 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4530 2.4920 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 3.4710 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 4.6840 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4200 4.6890 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3160 3.4700 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -0.1940 2.3940 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8450 -0.5920 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 1.1080 3.6030 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3190 1.5600 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 0.4420 6.7580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 39 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 41 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 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 34 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 1 M CHG 1 43 -1 M END