IBS-ZINC02272242 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 3.0820 -4.0540 -4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -4.4910 -3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -3.7650 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -4.1840 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -5.3350 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -6.0820 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -5.6580 -3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -5.8610 0.3650 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -7.1040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -5.8010 1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -4.6410 0.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -4.3640 -0.6210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7650 -4.3050 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -2.9830 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -1.9210 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -2.2970 0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -5.4230 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -5.9110 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -6.9000 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 -7.4190 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -6.9240 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -5.9320 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -8.3930 -1.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 -9.0280 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 -10.1200 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 -10.9780 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 -10.1620 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3230 -12.1230 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -4.5070 -4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -4.3480 -5.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -2.9640 -4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -2.8630 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -3.6010 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -6.9860 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -6.2440 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -3.7030 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -2.7280 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -2.9650 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -5.5330 -2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -7.2750 -3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -7.2890 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -5.5680 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -9.4820 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -8.2900 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 -9.6580 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 -10.7650 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -11.4210 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2250 -9.6410 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9600 -10.8090 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8940 -9.4150 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6700 -12.7450 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7660 -12.7680 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1320 -11.7420 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -0.8230 -0.8270 O 0 5 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 54 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 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 M CHG 1 54 -1 M END