IFLAB-ZINC04583816 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -1.3390 0.5190 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.5020 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.9590 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.8850 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.3660 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -1.8970 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -0.9660 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.3790 -2.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -2.0570 -3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.2950 -3.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -2.8010 -4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -3.5650 -5.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -2.5140 -5.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -3.1200 -7.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -2.4400 -8.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -2.9950 -9.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -2.3760 -10.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -2.8780 -11.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -4.0060 -12.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -4.6480 -11.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.1400 -9.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -4.6640 -13.8740 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -6.0890 -13.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -4.3400 -14.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -3.9020 -14.7050 N 0 5 0 0 0 0 0 0 0 0 0 0 1.1060 -4.1670 -14.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -3.3640 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.5260 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 0.3750 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 0.4360 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.5990 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -2.2280 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.5810 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -3.0520 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -1.8450 -5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -4.1840 -7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -3.0450 -7.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -1.3600 -8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -2.5410 -7.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -1.4930 -10.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -2.3890 -12.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -5.5320 -11.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -4.6410 -9.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -4.2980 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -2.9580 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -3.6100 -0.4210 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 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 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 25 -1 M END