IFLAB-ZINC05181073 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.8840 2.7850 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 1.3720 -1.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 0.5860 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 1.1640 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 0.3800 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -1.0260 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -1.5960 -3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.7890 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -3.3490 -3.3690 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -3.1890 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -1.9470 -4.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -4.2460 -5.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -3.7680 -6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -4.9510 -7.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -5.9930 -7.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -6.4280 -6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -5.1860 -5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -6.5350 -8.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -6.0920 -9.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -7.6690 -8.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -7.7420 -10.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -8.8030 -10.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -9.7920 -9.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -9.7250 -8.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -8.6730 -8.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -10.7880 -7.3810 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1320 -11.7190 -7.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -10.7300 -6.2780 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1500 3.1010 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 3.0380 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 3.2930 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 2.2390 -3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 0.8420 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -1.2380 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -3.3080 -7.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 -3.0330 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -4.6230 -7.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -5.3470 -6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -7.0760 -6.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -6.9660 -5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -5.4800 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -4.7070 -6.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -6.9710 -10.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -8.8610 -11.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -10.6200 -9.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -8.6240 -7.0790 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 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