IBS-ZINC02113420 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -1.7340 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.4150 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -2.2560 -0.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6950 -1.5890 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -2.3220 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -3.5960 -1.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -3.9270 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -3.1860 -2.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -5.4130 -2.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0320 -5.7370 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -6.4420 -3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -6.5580 -5.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -7.1770 -6.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -7.0880 -7.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -6.4180 -8.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -5.8010 -7.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -5.8760 -5.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -5.3880 -4.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -4.8730 -5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -7.6720 -8.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -7.5530 -9.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -6.9790 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -6.9540 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -5.7170 -1.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -4.6470 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -4.6260 0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -6.2000 -2.0610 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.0330 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -2.6990 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -2.9890 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -1.3250 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -7.6970 -5.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -6.3780 -9.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -5.2830 -7.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -6.4990 -9.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -8.0610 -10.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -8.0070 -9.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -8.0040 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -6.3650 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -7.8150 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -6.9720 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -5.8840 -2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -7.2650 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -6.0100 -1.0380 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 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 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 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END