IBS-ZINC05141854 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.6610 1.8250 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 0.3810 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.0380 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -0.4270 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -1.6070 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -2.2440 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -3.4610 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -4.0660 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -3.4320 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -2.2090 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -5.3570 -3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -5.6770 -3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -6.2440 -3.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5210 -6.0050 -5.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -7.1460 -5.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -7.1570 -7.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -8.1080 -5.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -7.7390 -3.7300 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3040 -7.8990 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -8.6000 -2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -9.0050 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -9.7710 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -10.1400 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -9.7400 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -8.9730 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -9.3570 -5.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -9.1650 -5.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 -10.3370 -6.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -10.9950 -7.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -5.0140 -5.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 2.5140 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 2.1250 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 1.9360 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.3370 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 0.0120 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -1.0730 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 0.6040 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -1.7850 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -3.9250 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -3.8440 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -1.7570 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -8.7250 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -10.0770 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -10.7330 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -10.0230 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -8.6730 -4.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -9.6940 -6.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -10.1110 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -8.7850 -5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -8.4560 -6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -9.5830 -7.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -10.0420 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -11.3120 -6.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -11.2150 -7.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -10.2380 -8.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -11.9180 -7.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -6.0890 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -10.4710 -6.3900 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9580 -11.1800 -5.6780 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 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 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 18 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 30 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 58 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 58 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END