IBS-ZINC02220720 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 58 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 2.1140 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 1.4590 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 1.8830 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 0.7170 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 0.8270 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 1.9920 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 3.1540 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 3.1360 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 4.1730 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 4.4330 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 4.8850 -1.5010 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0750 4.9940 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 6.2270 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 5.9280 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 4.6620 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 3.9230 -2.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 -0.3670 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.0380 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.6380 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -1.7640 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -2.2580 1.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7040 -2.0930 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9770 -3.7580 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 -3.8290 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 -2.4990 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 -1.5610 2.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9090 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1850 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8570 2.0310 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 5.1810 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7550 4.3140 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 6.9950 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0340 6.5350 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3180 6.7520 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9120 5.7160 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 4.9350 -4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5590 4.0840 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -2.3760 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 -1.8380 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -4.3270 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 -4.1270 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -4.6860 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -3.8630 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 -2.5970 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 -2.1900 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 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 4 5 1 0 0 0 0 4 25 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END