IBS-ZINC05216227 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.3330 -0.2030 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.1110 0.7120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7530 -2.0240 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.3830 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.8650 2.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0680 1.5440 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 0.4540 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.2380 1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -1.4670 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.5100 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 0.0440 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 -0.2560 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 -1.0590 1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -1.5690 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -1.3090 2.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -2.3990 3.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1480 -2.7040 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -3.6220 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6990 -3.0940 5.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9390 -3.9370 6.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8920 -5.3070 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6050 -5.8350 5.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -4.9930 4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 0.2740 -0.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 0.9330 -0.8510 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4210 0.4630 -1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 2.1340 -0.6620 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2860 1.5680 3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 0.0510 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.7210 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 0.7090 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -1.0440 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -0.0900 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.2140 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 1.3420 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -1.9730 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -2.1250 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -2.7790 3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 -1.7800 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 -3.1910 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -2.0240 5.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 -3.5240 7.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0790 -5.9650 7.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -6.9060 5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1480 -5.4050 3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 0.8580 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4880 0.0600 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 1.8580 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 2.4560 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.8890 4.3200 H 0 0 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END