IBS-ZINC05052011 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.8550 1.0540 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 1.7600 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 3.3760 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 3.5820 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 4.9810 0.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 5.8750 -0.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1910 5.8830 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 7.2280 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 7.0190 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 5.5850 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 5.0950 2.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 7.8230 1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 8.4000 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 8.4600 -1.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 9.6860 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 10.6500 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 11.8740 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 12.1420 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 11.1880 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 9.9690 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 11.3210 -0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 12.4610 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 5.4270 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 5.4040 -2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 5.0250 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 4.6660 -4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 4.6860 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 5.0680 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 4.1970 -6.0260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 0.0310 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 1.4510 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 1.0760 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 2.1440 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 0.6990 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 2.3240 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.7520 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 3.8980 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 3.2230 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 3.0140 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 9.3670 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 10.4550 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 12.6230 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 13.1050 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 9.2290 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 12.4950 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 13.3820 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7140 12.3790 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 5.7000 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 5.0240 -5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 4.4130 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 5.0830 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 1.9110 2.0050 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5350 1.5440 2.3010 H 0 0 0 0 0 0 0 0 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 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 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 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END