IBS-ZINC02128694 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3850 -2.1700 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -4.0960 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -4.7770 -0.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -4.6820 1.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -3.9770 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -4.9710 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -6.3280 2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -6.1290 1.4430 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1750 -6.5570 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -6.7870 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -6.1190 -0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -2.2080 -1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -1.4400 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -1.0660 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -1.0660 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -0.2770 -2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 0.0450 -3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -0.4110 -4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -1.1950 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 -1.5280 -3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -2.3120 -3.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -2.6380 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -2.6200 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -3.3050 -2.3980 O 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -3.7480 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -3.0630 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -4.7730 4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -4.9430 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -6.5090 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -7.1430 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 0.0800 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 0.6570 -3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 -0.1520 -5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -1.5460 -5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -8.1130 0.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -8.4890 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 49 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 49 50 1 0 0 0 0 M END