IBS-ZINC02211312 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 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 -2.4390 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 -3.9170 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 7.2020 -5.6750 6.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 -6.0700 7.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -5.4570 8.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 -7.2480 7.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8840 -7.9570 5.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7060 -9.0560 5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 -9.4630 6.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4680 -8.7720 8.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6510 -7.6600 8.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 -6.9770 9.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4740 -7.4550 10.4410 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 7.2260 -6.1640 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -7.6430 5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7340 -9.6030 4.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 -10.3260 6.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 -9.0960 8.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5120 -7.4300 10.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 -6.8210 11.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1970 -8.4790 10.6930 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 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END