IBS-ZINC04871474 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0990 1.5000 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.7000 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -2.0860 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.7710 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.0710 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.6900 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.0570 -2.4630 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.3920 -3.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.1210 -2.6100 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2690 -2.7730 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -4.1980 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -4.7820 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -3.9480 4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -4.4840 6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -5.8540 6.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -6.6920 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -6.1570 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -6.9790 2.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -8.3850 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -3.5720 7.2100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9830 -2.5700 6.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.5210 7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -2.6190 9.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -2.7490 9.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -2.1570 11.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -2.2880 11.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -3.0020 11.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -3.5940 10.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -3.4780 9.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -4.0690 8.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.8330 9.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.9070 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.8420 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 1.8410 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.1650 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -3.8500 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.6040 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -4.5670 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -4.4930 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -2.8780 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -6.2700 7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -7.7620 5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -8.9250 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -8.6170 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -8.6840 3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -3.1110 7.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -1.6000 11.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.8320 12.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.0970 11.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -4.1470 9.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -4.5220 8.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 32 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END