IBS-ZINC02291450 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.0910 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -0.8330 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -0.1680 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 1.1040 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 1.0940 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 2.1160 -2.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 3.1520 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 4.2490 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 5.2970 -3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 5.3030 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 4.2610 -2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 3.1580 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 2.1310 -1.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 -0.6400 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -1.3000 -1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -0.3440 0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 -0.8170 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 -0.3470 2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0600 -0.5960 4.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4090 -1.1570 5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4550 -0.5450 4.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3350 -0.7450 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9950 -0.1790 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -2.0620 -0.0800 N 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 0.5290 -0.3650 0.8850 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 -1.4180 -1.6240 0.0070 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 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 4.2590 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 6.1360 -4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 6.1470 -3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 4.2800 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 0.1820 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 -1.9060 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -0.4140 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 0.7430 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 -0.7490 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 -1.1010 5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 0.4730 4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 -0.9420 6.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 -2.2350 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1500 -0.2310 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3800 -1.8110 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 0.8970 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 -0.3800 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -2.4630 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -2.5320 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 -0.8210 3.3090 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 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 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 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 57 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END