IBS-ZINC04828778 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 0 0 0 0 0 0999 V2000 0.7460 1.0520 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -0.4660 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -1.1580 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -0.8490 0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -1.7060 -0.8510 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -2.9390 -1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -2.1480 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -1.7550 -0.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -1.0880 -1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -0.7110 -2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 -1.0380 -1.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 0.0280 -3.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 0.4380 -3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 0.6880 -5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 1.1160 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4610 2.4000 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6150 2.1500 -3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 1.7220 -3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -2.9560 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -3.3260 1.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -3.2850 1.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -0.8290 -2.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.4370 -3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -1.1060 -4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 1.0830 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 1.3500 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 1.5440 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 1.3410 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.7610 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -0.8620 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -2.2380 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -0.8650 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 0.2890 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5320 -0.3510 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 1.4760 -5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -0.2280 -5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8830 1.2940 -7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7260 0.3270 -5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7270 3.1890 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4210 2.7050 -5.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9490 3.0650 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3490 1.3620 -3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3770 1.5440 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 2.5110 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -2.9900 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -3.8160 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.7450 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -0.7980 -4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -0.8070 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -2.1890 -4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 1.5600 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.3920 -3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 1.3810 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 M END