OTAVA-ZINC05413262 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.3390 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.0370 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.6700 0.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -1.3700 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -1.4770 1.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -1.9790 2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -2.0570 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.6590 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.1780 4.9090 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.5930 3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -2.7300 4.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -3.3330 5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -3.8590 6.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -3.3390 5.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -2.6680 7.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.6290 7.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -0.3440 7.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -4.9400 6.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -5.6410 7.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -5.6990 8.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -2.8650 4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -2.4210 3.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -3.6270 5.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 -3.8750 5.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 -4.7200 7.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -1.5450 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 1.9470 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.8540 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 1.2690 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -0.6600 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 0.0570 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -2.3260 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -2.3500 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -4.0510 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -3.0950 8.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -2.2520 7.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.9470 8.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 0.3580 7.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 0.0450 6.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -5.6660 5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -4.5320 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -6.1580 8.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -6.2400 9.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 -5.2200 8.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -4.4120 5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 -2.9240 6.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 -4.9370 7.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -4.2040 7.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -5.6650 6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -0.4540 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -1.9550 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8370 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -3.8030 6.7480 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9480 -4.1820 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END