IBS-ZINC05217398 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0030 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6260 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1390 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.5500 4.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5270 -3.6300 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -2.1680 5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -2.7680 5.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.4570 7.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -1.5130 7.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -1.1610 9.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.2450 9.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3480 9.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 0.0320 8.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -0.9060 7.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -1.2500 6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -0.6590 6.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -1.2200 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -2.1340 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -2.6940 3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 -2.2850 3.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -1.3700 4.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 -0.8670 5.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -2.8330 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 -1.9610 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 -2.5340 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 -1.7190 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.5950 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.7040 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1000 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.2170 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -3.4940 5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.9340 7.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -1.6140 9.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.0240 10.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 1.0710 10.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 0.5000 8.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 -1.0520 4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2260 -2.8480 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -3.8490 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -1.9470 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 -0.9460 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3030 -2.5480 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0340 -3.5490 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 -2.0240 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -3.5830 2.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -3.8620 2.5010 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 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 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 2 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 53 54 1 0 0 0 0 M END