IBS-ZINC02108183 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 0.1370 1.0630 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.4450 -0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4460 -0.9760 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.8190 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.3410 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.7840 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -2.1120 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -0.8010 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0520 -0.8690 -1.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2310 -1.2500 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.7320 -1.6380 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0510 -2.1260 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.9990 -0.7930 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7910 -3.8260 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -2.7180 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -3.3020 -0.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 -2.3510 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6790 -2.4220 -1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -1.1280 -1.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8170 -0.6990 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -0.0950 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 1.4320 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6620 1.9410 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 1.6110 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 1.1020 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5320 3.1380 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9510 3.9930 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0750 5.1160 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3810 5.9840 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 7.1440 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 7.9420 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 0.4600 -1.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 0.3140 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 1.3240 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 1.3470 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 1.5940 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -0.4940 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -0.3380 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.8150 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -2.6220 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -3.7120 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -3.6550 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -2.0340 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -0.5720 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 0.7000 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8560 0.9400 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 2.2720 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6350 2.6740 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2990 1.1050 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 0.7710 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6240 2.1030 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 1.9390 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 0.3700 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2510 2.3320 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5020 3.7580 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9730 4.3420 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8950 3.3950 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3920 6.3740 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3130 5.4270 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 7.7570 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3690 6.7510 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9530 8.6980 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 0.4960 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 1.2660 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 0.1050 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 0.3670 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 0.4740 -0.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 2.5690 -1.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 67 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 67 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 68 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 68 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END