IBS-ZINC02130306 MOE2007 3D CORINA 3.40 0006 02.08.2006 77 80 0 0 1 0 0 0 0 0999 V2000 1.4630 1.8350 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 0.2910 0.1470 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5170 -0.0760 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -1.4660 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -1.5880 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -2.2210 3.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -1.0080 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.2090 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 0.1000 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.4860 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.0340 -2.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4340 1.0610 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.4140 -1.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5520 -1.4860 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -0.2810 -1.9300 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8450 -0.4330 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -1.3620 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -1.5740 -3.8600 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8630 -0.4170 -3.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3420 0.4980 -4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -0.6910 -4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -1.2670 -5.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -1.5400 -5.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9830 -0.4280 -5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 0.5200 -5.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -0.5780 -7.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 0.6340 -7.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 0.5900 -9.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -0.3800 -9.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 1.9030 -9.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 2.0930 -9.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 3.2840 -9.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 4.0010 -10.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 3.4640 -9.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1210 4.5180 -9.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5820 5.4700 -9.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5780 4.3230 -11.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 3.0200 -11.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 3.0010 -12.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3700 4.6120 -8.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 3.7670 -8.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -2.7960 -5.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.9490 -3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 1.0240 -2.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 0.9500 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 2.1930 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 2.2550 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 2.2870 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 0.0420 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 0.6370 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -2.2510 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -1.6160 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -1.3600 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.3150 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 1.1840 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -1.5800 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.1530 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -1.1380 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -2.3030 -2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -1.4190 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 0.2190 -5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.1800 -6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.5460 -6.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -1.3730 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.8450 -8.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 1.9070 -10.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 2.7160 -9.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 2.2360 -8.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 1.2000 -9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 2.8690 -8.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 4.4290 -12.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 5.0620 -11.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -2.9810 -6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -2.9660 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -3.2290 -4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -3.7550 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1950 5.5290 -9.2310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 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 49 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 53 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 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 17 1 0 0 0 0 15 44 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 40 1 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 40 41 2 0 0 0 0 40 77 1 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 77 -1 M END