IBS-ZINC05047381 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -0.9500 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -1.6650 -1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 -3.0190 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -3.3810 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -2.1250 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 -1.0560 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 0.1990 -1.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 0.4890 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7890 1.8290 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1190 2.1150 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0710 1.0960 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 -0.2110 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 -0.5460 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9460 -1.8290 -1.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -4.6960 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6320 -5.2570 -2.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6790 -5.3280 -0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 -6.6530 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1010 -6.9250 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 -8.3440 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 -9.3510 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6190 -9.0790 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0540 -7.6600 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -3.9030 -1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -1.5470 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.0070 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0640 2.6300 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 3.1450 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1210 1.3490 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4430 -0.9900 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7920 -6.7530 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9210 -6.2080 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -6.8260 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 -8.4440 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3030 -8.5380 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9160 -10.3620 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 -9.2520 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -9.1790 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 -9.7970 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 -7.5610 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 -7.4660 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -3.5740 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -4.8580 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 14 15 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 44 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END