IBS-ZINC04677655 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0090 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 0.0320 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -2.5570 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -4.0720 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -4.7000 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -4.0050 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -4.9500 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -6.1230 -3.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -5.9880 -2.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -6.7120 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -4.6850 -4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -3.5510 -4.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -5.6980 -5.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -5.4460 -5.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -6.4220 -6.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 -6.1570 -7.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 -4.8560 -7.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -4.6160 -8.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4720 -5.6590 -9.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 -6.9500 -9.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -7.2060 -8.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6190 -8.0590 -9.7960 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5480 -7.8350 -10.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 -9.1960 -9.6650 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4580 -2.5220 -2.5280 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 1.0990 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.3420 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.3680 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.3290 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -0.3190 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 1.1220 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.0660 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -2.3480 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -4.2760 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -4.4780 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -6.6020 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -7.4290 -6.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -4.0410 -7.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 -3.6110 -8.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2960 -5.4650 -9.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -8.2140 -8.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -2.0210 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -2.3120 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 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 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END