IBS-ZINC04082062 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -0.1070 1.6520 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.1360 0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3410 -0.0950 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.5820 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -0.2280 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -1.1420 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -1.1140 3.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.4200 -1.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1240 -0.2730 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -1.9430 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.2470 -2.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -0.9920 -3.6920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2850 -0.8880 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 0.1630 -2.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0080 1.4670 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 1.3210 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.3490 -5.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4130 0.7220 -5.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.0650 -4.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5020 -1.6220 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -1.9080 -4.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7020 -2.9400 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -1.9420 -5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.5230 -5.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9290 -0.0350 -4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 0.3150 -6.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0690 1.7380 -6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 1.7420 -7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 0.8370 -6.5990 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2400 0.7460 -7.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -0.5610 -6.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 1.4510 -5.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 1.5070 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -0.2900 -7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -1.4110 -2.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -2.0670 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 0.4230 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 1.9480 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 2.1990 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 2.0050 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -1.6690 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.3560 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.8040 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.3410 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.5190 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -2.2570 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -3.1650 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -2.4200 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 1.9180 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 2.2120 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 2.3240 -4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 1.0240 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -2.4840 -4.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -2.5010 -5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 2.3540 -6.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.2430 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 1.4320 -8.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 2.7720 -7.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 -1.0940 -5.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 -1.1330 -7.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 0.3500 -7.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -0.3930 -8.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -1.2830 -7.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 1.2890 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 0.6300 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -0.4300 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -1.8040 4.3050 O 0 5 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 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 23 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END