IBS-ZINC01159079 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -1.3210 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -1.7990 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.4830 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -0.6880 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2140 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -2.0040 0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7220 -2.2820 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5250 -3.2200 0.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5290 -2.7980 2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 -1.4120 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 -0.7560 2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -0.9840 0.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 0.3370 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 0.2700 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9520 0.5120 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9520 0.4380 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6140 0.1280 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3590 -0.0960 -3.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 -0.0290 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9140 -3.4550 2.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -4.4240 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 -4.2750 -0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 -5.7780 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -6.8970 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8610 -8.1630 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -8.3280 1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -7.2240 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -5.9520 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -9.9260 2.1550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.5680 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -2.4200 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -0.4410 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 0.4040 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 1.0570 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 0.6500 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1870 0.7510 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9820 0.6200 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3870 0.0690 -3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 -0.2140 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -3.4340 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 -6.7700 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 -9.0280 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -7.3600 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -5.0920 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 24 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END