IBS-ZINC05347314 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.8450 0.5740 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.4770 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 2.6720 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 3.3260 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 4.7710 2.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 5.5340 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 6.9360 3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 7.9760 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 9.1760 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 8.9220 4.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 7.5760 4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 7.0230 5.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 5.6880 5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 4.9300 4.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 10.5910 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 11.4960 2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 12.8480 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 13.3240 2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 12.4330 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 11.0780 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 14.6640 1.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 15.1980 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 7.8850 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 8.1950 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 8.0870 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 7.6780 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 7.3610 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 7.4620 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 7.6160 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 7.4640 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -0.5020 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 0.7810 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 1.0370 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.7360 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.6010 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 0.8100 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 3.0370 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 2.8970 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 2.9700 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 3.0270 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 5.2440 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 5.1490 6.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 11.1580 3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 13.5330 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 12.7540 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 10.4150 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 16.2690 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 15.0850 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 14.7430 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 8.5240 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 8.3370 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 7.0320 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 7.2180 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 8.2540 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 6.4710 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 7.5510 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 1.1590 1.2440 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2160 0.9480 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 57 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 57 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END