IBS-ZINC04548332 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -5.2680 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -4.4660 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -4.8360 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -4.4790 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -5.2880 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -4.4240 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 -3.5730 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4320 -3.8220 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6430 -3.4910 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -4.3430 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6390 -3.1140 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 -1.7300 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8260 -1.0330 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0280 -1.7120 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0430 -3.0920 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8510 -3.7980 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8640 -5.1550 -0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1430 -5.7880 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -4.9370 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -6.3290 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -3.4000 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -4.6980 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -5.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -3.4140 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -4.7220 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -6.3500 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -4.9690 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -4.2190 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6560 -5.4800 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2590 -3.8370 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 -2.5180 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2330 -3.6970 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3740 -2.4360 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -5.3980 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -4.0780 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 -1.1970 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8190 0.0450 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9580 -1.1630 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9830 -3.6200 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0100 -6.8680 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7190 -5.5480 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6740 -5.4300 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -4.0930 0.0380 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 61 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 M END