IBS-ZINC04980731 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 -0.2180 0.4900 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -0.8940 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -2.0730 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -2.5860 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -3.2920 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -3.3320 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -4.6540 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -4.7390 2.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -5.2630 3.8030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5310 -4.5720 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -5.1270 4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -4.5890 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -4.3130 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -3.7970 1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -4.3060 4.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -5.6080 5.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -6.3150 6.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -5.2800 6.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -4.0130 6.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -3.7430 8.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -4.7320 8.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -5.9950 8.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -6.2630 7.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -7.0430 9.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -6.8160 10.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -6.6740 3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -6.9820 4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -8.2730 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -9.2720 3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -8.9850 3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -7.6960 3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.5630 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 1.2410 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 0.7500 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.9970 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -1.0970 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -2.7350 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -1.0810 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -3.5870 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -1.9170 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -2.6370 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -3.4320 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -4.0780 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -2.4990 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -3.2200 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -5.5030 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -4.7430 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -3.9540 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -3.2200 6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -2.7560 8.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -4.4790 9.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -7.2450 7.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -6.5880 10.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -7.7390 11.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -6.0260 11.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -6.2210 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -8.5030 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -10.2770 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -9.7660 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -7.4970 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -1.9510 0.0710 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8430 -1.6340 1.0400 H 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 61 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 61 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 61 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 30 59 1 0 0 0 0 31 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END