IBS-ZINC02131435 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 84 0 0 1 0 0 0 0 0999 V2000 -0.3910 -0.4560 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -1.7580 0.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1670 -2.3820 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -3.2820 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -3.9080 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -3.6920 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.7120 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -2.4910 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -2.1860 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0710 -1.8920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6030 -0.2310 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -1.5390 -0.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3050 -2.5450 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -0.6770 -0.7050 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8590 -0.9510 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -0.9190 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -0.9850 -3.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7810 -0.4740 -3.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8400 0.5860 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -0.4110 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 0.0470 -5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -0.0310 -4.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0590 1.3970 -3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 1.8410 -2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 2.2780 -4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 3.6240 -4.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.5780 -5.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -2.4610 -3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 0.7040 -0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 1.2090 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -4.7770 3.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -5.0970 4.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -6.3350 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -6.4740 5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -7.0220 5.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -5.9910 6.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -6.0950 7.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -5.7810 9.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -6.7880 9.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -6.4900 10.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -5.1800 11.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -4.1760 10.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -4.4700 9.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -4.8560 12.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -5.8170 13.2060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4020 0.2610 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.0430 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.6570 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -2.9800 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -1.5830 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -3.4460 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -4.3410 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -3.3580 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -1.6480 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -3.0920 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.8860 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -0.1730 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -1.8710 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -1.3840 -4.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 0.2970 -4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -0.5920 -6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 1.0670 -5.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 1.9300 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 2.2500 -5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 3.5850 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -0.3680 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -3.1510 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -2.6080 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -2.7900 -3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -5.1990 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -7.1620 4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -6.3940 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -5.5330 6.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -7.1040 7.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -5.4020 7.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -7.8120 9.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -7.2850 11.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -3.1510 11.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -3.6670 9.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -3.6470 13.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 5 2 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 73 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 39 40 2 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 40 77 1 0 0 0 0 41 42 2 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 44 45 1 0 0 0 0 44 80 2 0 0 0 0 M CHG 1 45 -1 M END