IFLAB-ZINC04315265 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0600 0.2270 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -1.0550 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -1.5300 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -0.6920 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.5780 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.0760 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 1.1150 0.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 2.0390 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.1840 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -0.9170 1.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 0.4060 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 0.5510 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 0.7280 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 1.7720 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 1.6020 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7950 2.2280 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0650 3.7110 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 4.4930 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3950 4.0010 0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9460 5.2650 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3280 5.3280 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9460 6.5400 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 7.7140 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 7.6570 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2010 6.4400 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9320 8.8200 1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2420 10.0480 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3280 9.9560 2.5730 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1330 11.0070 1.9160 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 10.4190 0.4380 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 0.5720 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -1.6920 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.5240 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 2.0710 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 -0.4930 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 -0.3340 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 1.4100 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 -0.1510 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 0.9340 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 2.6780 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 0.9070 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 2.5240 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 1.4650 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 2.0290 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 1.5740 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0670 3.2410 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9510 4.4410 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0230 6.5660 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 8.5370 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 6.4530 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 1.9050 -0.2160 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8300 2.7570 -0.5590 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 51 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END