IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -1.0290 1.0110 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -0.3540 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -0.8660 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -2.4840 0.8040 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -2.3840 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -1.2330 -1.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -3.5510 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -0.1930 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.9950 2.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.9570 3.5490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5600 -0.8390 3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -0.6240 5.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -0.6520 5.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.3770 5.8620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -0.3710 4.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8340 0.6880 4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -1.1290 5.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -0.6120 4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -1.3320 5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -2.5560 5.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -3.0940 6.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -2.3780 5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.0460 7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 1.4630 7.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.7890 8.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 4.1740 8.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 3.5150 10.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -0.9080 3.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.7680 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 1.1200 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 1.2070 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -4.4140 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -3.3120 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -3.8290 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 0.3490 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2290 -0.9500 4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -3.1560 5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -2.8560 6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -0.4440 7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -0.5380 7.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.8440 7.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.9530 6.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 1.5560 9.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 1.2290 9.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 3.8970 8.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 4.0730 7.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 5.2010 8.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 2.8990 11.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 3.2580 11.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 4.5720 10.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -2.0210 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 3.2570 9.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1540 3.5020 8.8080 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 28 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END