IBS-ZINC02108181 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 -0.4740 1.3820 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.0710 0.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9970 -0.6440 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -0.6330 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -2.1100 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -2.4190 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -1.6150 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.2880 -1.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7320 0.8310 -1.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2180 1.7860 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 0.6000 -2.6400 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6170 1.0830 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.8610 -2.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0500 -1.0500 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -1.9610 -2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -0.9950 -4.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 0.0530 -4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 0.0690 -6.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.2100 -4.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2350 1.8660 -4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 1.9730 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 3.7020 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 5.0090 -3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 5.5880 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 4.2610 -3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 7.4260 -2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 8.5170 -3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 8.2040 -5.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 9.1910 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 8.8190 -7.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 8.8660 -7.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 8.3700 -6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 1.0190 -0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 0.1570 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -0.3330 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 2.0250 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 1.8050 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 1.4320 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.0680 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.5210 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -2.4080 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -2.7200 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -3.3600 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -2.8930 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.1900 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 2.2170 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 1.3010 -4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 2.9470 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 3.8550 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 5.3770 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 4.8830 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 5.4740 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 6.3570 -3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 4.4470 -4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 3.9330 -3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 7.4600 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 7.5150 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 9.4920 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 8.5520 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 10.1720 -5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 9.2050 -5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 9.5160 -8.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 7.8020 -7.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 0.6110 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.5310 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.1290 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 3.2120 -3.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 6.0720 -3.4290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0980 6.2340 -4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 33 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 13 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 67 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 67 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 68 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 68 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END