IBS-ZINC02093876 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.5520 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.0230 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.4700 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -0.7730 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -1.2330 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.5020 -2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -1.3820 -3.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.0980 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6400 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.3500 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -0.5230 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -0.9800 -4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -1.2580 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -1.1640 -6.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 0.0960 -1.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 0.3700 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 0.8520 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 0.8610 0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 1.2950 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 2.5590 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 2.5960 -0.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6610 1.3640 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 0.4930 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -0.8310 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0260 -1.2860 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1140 -0.4240 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 0.8910 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2170 -2.5790 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5590 -2.9820 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0160 3.7810 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 3.7220 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.9350 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.9040 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.9090 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.3280 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -0.3600 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -0.6630 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -0.3020 -3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -1.6130 -5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.2390 -6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -1.9680 -6.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -1.4170 -6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 1.1390 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -0.5390 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -1.5000 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1060 -0.7860 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7860 1.5520 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1740 -2.8410 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5710 -4.0330 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9580 -2.3780 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3500 3.8020 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8840 3.7430 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 4.6780 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 3.7850 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 4.6450 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 3.5780 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END