IBS-ZINC02217715 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.3230 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -1.8020 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -1.4570 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 -1.7550 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -1.0980 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -1.2130 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7630 -1.9340 1.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5150 -2.5370 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -2.4570 -0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -0.5860 3.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4910 -0.8460 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -0.2050 5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 1.4990 4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 0.8580 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7640 1.9030 6.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -0.4580 1.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -0.6450 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -0.2190 1.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -2.6800 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -2.5720 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -2.7430 -2.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.6410 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -3.6640 -4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -1.1950 -3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2990 -3.1140 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1810 -0.4190 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6540 -1.9220 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 -0.3720 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0590 -0.6520 5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 1.0710 5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9250 2.5740 4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 1.0250 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 1.3050 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 1.4810 7.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8120 1.7500 6.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 2.9700 6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -3.7150 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -2.3620 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -0.7690 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -1.8940 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -3.5420 -4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -3.5850 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -4.6430 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -0.4220 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -1.1210 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -1.0610 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4720 1.2390 5.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 22 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 21 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 58 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END