NCID-ZINC05045562 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -0.2760 -2.2780 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -2.4350 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -1.0400 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -0.7660 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.6970 -2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 0.8260 -2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 1.1810 -4.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 1.3620 -3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 1.1610 -2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 1.7750 -4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 2.0020 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 2.3830 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 2.5380 -6.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 2.3140 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 1.9250 -6.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 1.6890 -6.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 1.8310 -7.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 2.2130 -8.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 2.4530 -8.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 2.8480 -9.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 2.9010 -10.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 3.1060 -9.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 2.9330 -7.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 3.0590 -7.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 3.5520 -10.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 2.3550 -10.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 1.7390 -12.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 1.7850 -13.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3680 3.2510 -11.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0440 4.2670 -12.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 1.2740 -5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 0.9950 -5.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.5870 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -1.9080 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -3.2460 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -2.8260 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -3.1110 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.2340 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.9930 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -0.6980 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.1830 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -1.5560 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -1.0970 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.1960 -3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 1.2750 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.2550 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 1.8820 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4530 2.5560 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 1.6450 -7.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 2.3200 -9.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 4.2280 -9.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 4.1320 -10.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 1.7160 -11.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6140 1.7420 -9.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1820 1.9400 -13.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 0.7700 -12.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 1.5700 -13.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2660 1.0390 -14.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 2.7670 -14.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1620 3.7120 -10.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9820 2.3580 -11.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2910 3.8490 -13.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9770 4.6100 -11.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4050 5.1430 -12.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -1.0830 -1.7420 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0790 -0.3880 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 2.8090 -11.7810 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6350 3.6270 -12.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 65 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 65 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 65 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 67 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 67 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 67 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 2 0 0 0 0 65 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 65 1 M CHG 1 67 1 M END