IBS-ZINC02094025 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 69 0 0 1 0 0 0 0 0999 V2000 0.0050 1.4790 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -0.7500 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.1310 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.7900 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.0670 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6860 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -4.5510 -0.1240 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -4.9070 -1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -4.9740 1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -5.0750 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -4.7670 -1.1810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7790 -4.6060 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -3.5220 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -2.5840 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -1.4420 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 -1.2360 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -2.1740 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -3.3190 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -5.9190 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -6.8970 -0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -5.8590 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -6.9700 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -7.2640 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 -8.3780 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 -9.2260 -2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 -10.4340 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 -11.2280 -4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -10.8620 -5.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -11.5670 -6.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -9.7580 -4.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 -8.9360 -3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -7.7980 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4670 -10.7860 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -11.9490 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 -12.2740 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5500 -11.4460 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6210 -10.2880 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5840 -9.9530 -2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5720 -11.7690 0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6850 -10.8740 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.8640 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8560 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.8080 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.2350 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -2.6960 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.5820 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.1210 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -5.5850 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -2.7450 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -0.7090 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -0.3430 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -2.0140 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -4.0530 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -6.6080 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -8.6020 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6150 -12.1220 -4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -7.5610 -4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -12.5940 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3870 -13.1730 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4870 -9.6470 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6380 -9.0500 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3470 -9.8880 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1290 -10.8020 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4270 -11.2490 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 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 45 1 0 0 0 0 4 5 1 0 0 0 0 4 46 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 47 1 0 0 0 0 7 48 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 49 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 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 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 54 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 23 24 1 0 0 0 0 23 33 2 0 0 0 0 24 25 2 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 32 2 0 0 0 0 27 28 2 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 37 38 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 40 41 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 M END