IBS-ZINC04777113 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.3120 2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -1.7700 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4190 3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -0.6120 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -0.1570 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -1.9180 4.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1250 -2.5350 5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -2.7480 4.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -3.1510 5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -2.4400 6.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 -2.8590 7.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -3.9180 7.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -4.5700 6.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -4.2010 5.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 -5.6760 6.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -6.0720 7.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 -5.4590 8.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8660 -7.2750 7.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 -7.5060 8.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5190 -8.7100 8.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 -8.5560 7.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6370 -9.6600 7.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -10.9180 8.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8660 -11.0710 8.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0460 -9.9670 8.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -1.2720 6.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.7680 7.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -0.7220 5.5200 C 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.5860 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -2.4010 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -0.3370 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 0.4710 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -3.6450 3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -2.1610 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -2.3280 8.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 -6.1660 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 -8.1520 6.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5790 -7.1030 6.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 -6.6290 8.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -7.6780 9.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1870 -7.5740 7.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 -9.5400 7.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 -11.7800 7.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4940 -12.0540 8.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -10.0860 8.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.1440 4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -0.0910 5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 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 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 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 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 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 30 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END