IBS-ZINC04898159 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.4110 0.9410 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.5610 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -1.1710 1.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.5270 1.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -3.1800 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -2.6310 2.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -4.6990 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -6.6560 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -7.1910 4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -5.2320 5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -4.7500 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -7.2970 6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -7.1150 6.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -6.2710 7.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -6.0710 8.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -6.7100 7.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -7.5540 6.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -7.7550 6.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -8.8020 4.7320 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.1680 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -0.8820 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -1.6530 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -2.4830 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -2.3290 -0.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.1740 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.4270 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 1.3340 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -3.0350 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -5.0050 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -5.1160 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -6.9600 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -7.1280 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -8.2860 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -6.8180 5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -4.8040 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -4.9670 5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -5.1150 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -3.6560 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -6.8150 7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -8.3670 6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -5.7560 8.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -5.4160 8.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -6.5530 7.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -8.0530 5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -0.1620 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -1.5950 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -3.1660 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -5.1890 3.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -6.7440 5.1450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0780 -7.1470 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 48 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 49 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END