IFLAB-ZINC04272899 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 -0.1290 1.2190 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.1140 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -0.5520 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 0.3210 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 1.6620 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 2.1090 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -0.1130 0.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 0.7490 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 0.0180 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -2.1740 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -1.4320 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 -2.0970 1.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0090 -2.6270 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 -3.1720 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 -2.7040 3.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 -1.8040 4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 -1.3010 3.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -1.4630 5.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -1.3760 5.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 -1.0630 7.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 -0.8360 8.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2330 -0.9050 7.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -1.2080 6.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 -0.6460 8.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -0.4100 9.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8580 -0.5230 9.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -1.2480 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3060 -1.1370 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 -0.1580 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 0.2670 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7880 -0.3860 1.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 1.5610 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -0.8160 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -1.5960 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 2.3850 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 3.1510 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 1.6640 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 1.0500 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -0.1710 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 0.6330 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.1120 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -2.3780 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.2940 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -2.0580 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -3.8350 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3290 -3.8060 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -3.0990 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7780 -1.5260 5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5800 -0.9930 7.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 -1.2560 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 0.5990 10.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 -1.1380 10.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 -1.6910 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1020 0.1950 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 0.9920 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -1.3350 1.3260 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9210 -1.1550 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 56 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 56 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END