IFLAB-ZINC03200085 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -2.3940 2.6010 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 1.1240 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 0.3160 -0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -1.0190 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -1.4930 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -1.8960 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -2.2770 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -3.0840 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -3.4030 -1.2060 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -2.4340 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -2.2210 -2.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -2.7990 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -3.5070 -3.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -2.5730 -4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -1.2720 -5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -1.0670 -6.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -2.1480 -7.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -3.4390 -6.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -3.6580 -5.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -5.0400 -5.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1080 -5.9850 -5.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -5.2320 -4.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5050 -1.9200 -8.5750 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.7850 -8.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -2.8690 -9.2290 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.2200 -3.6430 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7760 -3.4920 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -2.0500 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -1.8150 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 3.2080 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 2.7520 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 2.8950 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 0.8300 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 0.9730 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -1.6560 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -0.4280 -4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.0620 -6.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -4.2780 -7.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1470 -3.0920 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3760 -4.6970 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -3.7210 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -4.1750 3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -1.3610 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 -1.8830 4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -2.3850 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -0.7540 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 29 1 0 0 0 0 8 9 1 0 0 0 0 8 26 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 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 25 -1 M END