IBS-ZINC02251450 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 73 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0800 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0670 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2560 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -5.0870 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -6.3700 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -6.3600 0.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -5.0250 0.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -7.4880 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -7.3350 2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -8.4480 2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -9.7140 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -9.8700 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -8.7610 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -4.6270 -2.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9710 -3.7160 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -4.3980 -3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -5.2310 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -6.0070 -3.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -5.6840 -2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -6.3540 -1.5930 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -7.6810 -2.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -6.0500 -0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -5.4870 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -5.9280 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0530 -5.2480 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 -4.1270 -2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 -3.6860 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -4.3690 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -5.3180 -5.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -6.2240 -6.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -6.3020 -7.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -5.4790 -8.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -4.5760 -7.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -4.4880 -5.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -5.5590 -9.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -4.6830 -9.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1620 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6220 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5980 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1390 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -7.2470 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -6.3460 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -8.3300 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -10.5840 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -10.8610 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -8.8830 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -3.6890 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -6.6780 -4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -6.8040 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -5.5920 -4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 -3.5950 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -2.8100 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -4.0270 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -6.8650 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -7.0050 -8.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -3.9370 -7.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -3.7820 -5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -4.8480 -10.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -3.6480 -9.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -4.8840 -9.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 46 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 2 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 38 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 M END