IBS-ZINC02139936 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 71 0 0 1 0 0 0 0 0999 V2000 -0.3940 2.6260 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 1.1150 -0.9110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8700 0.9630 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 0.6070 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 1.3300 -1.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7900 0.9680 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 1.1420 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 0.5050 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.6230 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -1.4410 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.1170 -0.7720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6160 -1.5150 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 0.4070 -0.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6450 0.5870 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 0.9560 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 0.2990 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -1.2540 -0.7620 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7230 -1.8580 -0.3400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6440 -2.8760 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.9790 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -1.9350 1.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3790 -0.9220 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -1.9310 0.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5080 -1.1450 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -1.2620 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 -0.3730 -0.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 0.3350 -0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -3.3820 -0.2310 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6870 -4.4520 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -5.7250 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 -5.9300 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 -4.8520 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6590 -3.5960 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -2.9580 2.4350 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4290 -1.6170 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 2.7230 -1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 2.8120 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 3.2060 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 2.8040 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 3.0610 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.8920 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 0.1920 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.8410 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.4770 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 2.0940 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 0.5000 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -1.0250 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -1.3050 -2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.5000 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 2.0300 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 0.8390 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 0.5960 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 0.7670 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -2.8830 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -1.1550 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1090 -0.7600 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -1.8760 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -0.2940 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9620 1.0960 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -4.3100 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -6.5530 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 -6.9180 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9430 -4.9810 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -2.7610 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -0.9660 -2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -2.6470 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -1.5200 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 36 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 28 1 M CHG 1 34 -1 M END