IBS-ZINC04086681 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.1530 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -0.4170 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -1.7910 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -2.5960 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0160 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7740 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -3.1230 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -4.0000 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.9500 1.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -4.0810 3.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -2.7280 4.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6390 -2.6480 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.5340 5.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -3.5470 6.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -2.9690 7.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -3.5240 8.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -2.6660 9.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.3130 9.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.7390 8.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -1.5860 7.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -1.3600 6.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -0.4970 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -4.9860 5.8800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7710 -5.6350 6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -5.2490 4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -5.2840 5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -6.2040 6.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -6.3000 5.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -5.4580 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -4.4680 4.3850 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 1.2290 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 0.1940 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -3.7280 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.2160 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -3.6920 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -4.5770 8.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -3.0570 10.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.6860 10.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 0.3170 8.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -6.1390 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -5.3840 4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -6.8280 7.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -7.0030 6.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -5.3910 4.3440 H 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 M END