IBS-ZINC05016727 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.1230 -1.6480 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -2.2440 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -1.5850 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -1.4500 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.6140 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.8440 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 1.2510 0.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 2.1240 -0.4070 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1780 1.6440 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 2.0960 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 1.3950 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 0.8300 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 0.1020 2.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 1.2530 1.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 2.5750 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 3.1270 -2.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 2.5710 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1430 1.7350 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 1.7920 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 2.6140 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 3.4130 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8040 3.4340 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 3.5310 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 4.1650 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 5.4790 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 6.1740 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 5.5640 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 4.2500 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 7.7980 -0.3330 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -1.0930 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -2.4460 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.9690 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -2.8050 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -2.9110 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -0.9440 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -2.6150 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -0.4150 2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -2.0880 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -1.7400 3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.6700 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -1.2980 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 1.5170 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.9690 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 3.5300 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 1.0510 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 1.1600 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 4.0590 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1690 4.1030 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 3.6480 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 5.9570 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 6.1070 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 3.8020 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -1.1350 0.5670 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1860 -0.3600 0.4600 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 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 53 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END