IBS-ZINC04981533 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 -0.8200 -2.9140 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -2.6550 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -0.8790 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -1.1300 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -0.7680 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 0.7560 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 1.2130 3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 2.6730 3.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 3.6230 2.9360 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1410 3.4530 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 5.0000 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 4.8260 3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 3.3790 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 2.8990 4.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 5.8170 4.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 6.2790 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 7.0540 2.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 6.6270 3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 5.7810 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 6.1090 5.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7800 7.2730 5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3780 8.1200 4.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 7.8040 3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 9.2620 4.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 9.5280 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 3.4770 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 3.3820 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 3.2480 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 3.2160 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 3.3090 -0.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 3.4420 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -3.9840 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.3910 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -2.5500 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -3.0030 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -3.1920 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 0.1710 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -1.5020 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.5070 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -2.1800 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -0.8800 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -1.2150 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -1.0760 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 1.0700 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 1.2040 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 0.9000 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 0.7650 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 5.5050 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 4.8710 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 5.4540 6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 7.5240 5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 8.4650 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 8.7190 4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8810 9.6010 5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6650 10.4670 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 3.4100 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 3.1710 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 3.1120 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 3.5210 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -1.2150 0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 31 59 1 0 0 0 0 M END