IBS-ZINC02246852 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8220 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -2.3480 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -3.7060 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.5650 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.0290 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -2.6700 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -5.9100 1.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.6790 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -8.1530 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -9.1280 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -10.4570 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -10.8170 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -9.8570 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -8.5130 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -7.3680 1.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -6.2600 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -5.1190 0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -7.3700 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -5.8580 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -5.7940 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -6.3880 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -7.8270 2.9800 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8560 -8.4300 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -7.8330 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7820 -8.4090 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -1.6860 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -4.1130 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -4.6860 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -2.2560 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -8.8460 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -11.2170 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -11.8580 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -10.1500 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -6.5270 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -8.3000 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -5.2760 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -5.4490 2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -6.3650 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 -4.7550 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 -6.3840 4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0710 -5.7940 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -8.8570 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -7.2410 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3100 -7.8070 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 -9.4330 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -8.4020 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -7.2550 1.8780 N 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 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 55 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END