IFLAB-ZINC04138638 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0320 1.5300 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 0.0010 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.5320 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -2.0610 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -2.6920 0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -4.4240 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -5.0000 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -6.2780 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -6.5980 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -5.4210 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -5.2670 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -5.3010 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -5.1510 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8950 -5.1690 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -7.9640 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -8.4440 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -9.7490 0.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -10.3060 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -10.1620 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -9.0680 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -9.1960 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -10.3990 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -11.4790 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -11.3690 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 1.9100 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 1.9010 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 1.8700 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.3390 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -0.3700 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -0.1920 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -0.1620 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -2.4010 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -2.4320 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -6.0800 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -4.3140 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -4.4880 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -6.2540 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5280 -4.3530 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7070 -6.1200 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 -5.0500 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -7.8780 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -8.3570 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -10.5010 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -12.4170 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -12.2160 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 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 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 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 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 M END