IFLAB-ZINC04497028 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -1.2600 1.1810 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -0.3110 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.8960 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -2.2630 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -3.0500 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -2.4600 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.0920 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.4510 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -4.4360 -0.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -5.1410 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -6.5330 0.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2360 -6.5360 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -6.7070 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -5.2920 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -4.9750 -2.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -7.5680 1.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -8.7110 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -8.8830 0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -9.7560 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -9.5810 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -10.5590 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -11.7120 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -11.8920 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -10.9240 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -11.1240 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -13.1280 3.5730 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3530 -14.0370 4.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -13.2360 3.1150 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2800 1.6580 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.4100 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 1.5550 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.2840 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -2.7200 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -3.0690 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.1790 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -1.1540 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 0.4440 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -4.6080 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -5.2420 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -7.2260 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -7.2470 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -7.4310 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -8.6810 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -10.4250 4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -12.4750 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -10.7110 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -12.1890 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -10.6160 0.8250 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 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