IBS-ZINC05163627 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 -0.4720 1.7310 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 0.3360 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -0.2820 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 0.3580 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -0.3490 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -1.6950 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -2.3430 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -1.6580 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -2.3460 0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3980 -1.8410 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -2.2350 -1.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0570 -1.1580 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -2.8140 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.6810 -3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -3.3000 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -2.7330 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -2.8480 -1.7600 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3390 -4.2980 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -4.4000 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -4.0660 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.4860 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -2.1560 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -1.5710 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -2.3080 5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -3.6350 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.2230 3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -5.8870 3.3270 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -2.1020 -1.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 2.0560 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 2.2980 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 1.9380 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 1.4100 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 0.1570 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -2.2380 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -3.3900 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -3.8670 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -2.2810 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -3.1560 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.6190 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -4.3890 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -3.1050 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -3.2300 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -1.6760 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -4.9430 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.6970 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -5.4540 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -3.8740 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -5.1540 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -3.7060 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -1.5520 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -0.5380 4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -1.8550 5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -4.2090 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -2.2670 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -3.8110 0.5780 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9740 -4.3480 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 55 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 28 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END