OTAVA-ZINC05413485 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -2.5710 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -2.8170 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -4.2560 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -2.8100 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.6050 2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -3.3170 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -2.4600 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -3.1500 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7860 -4.8760 1.2080 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -4.6490 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -5.6760 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -6.9580 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -7.2140 1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -8.0540 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -9.3840 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -10.4020 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -10.1060 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -8.7900 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -7.7630 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -0.9790 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -0.2400 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 1.1380 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 1.7870 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 1.0590 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -0.3190 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -2.6660 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -2.1270 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -4.4400 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -4.4080 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -4.9460 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0860 -2.7060 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -5.4710 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -9.6150 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -11.4310 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -10.9070 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -8.5670 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -6.7360 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 -0.7450 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1570 1.7120 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 2.8660 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 1.5710 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -0.8860 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 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 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 M END