IBS-ZINC02320049 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 71 0 0 0 0 0 0 0 0999 V2000 0.8690 1.4760 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.0260 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.7220 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.0970 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -2.7860 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -2.0770 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.7020 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -4.2590 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -4.8740 1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -4.9210 -1.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -6.3220 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -6.9880 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -8.4500 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -9.2730 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -10.5420 -1.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -10.5620 -3.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -9.3290 -3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -8.9090 -4.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -9.6040 -5.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -9.0080 -7.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -7.8350 -7.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -7.4280 -5.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -11.6710 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -12.9350 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -14.0460 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -13.9010 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -12.6440 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -11.5290 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -7.0680 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -7.4510 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -7.3290 0.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -7.9640 2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -8.1460 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -8.8090 3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -8.9840 4.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -10.0730 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -9.8180 4.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -8.6060 5.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -8.1030 5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 1.7540 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 1.8880 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 1.8730 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -0.1880 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.6400 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -2.6040 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.1520 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -4.4270 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -6.4430 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -8.9540 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -10.5530 -5.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -9.4550 -7.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -7.2310 -8.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -13.0490 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -15.0300 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -14.7720 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -12.5340 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -10.5480 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -7.0960 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -8.9370 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -7.3330 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -7.1730 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -8.7770 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -9.7820 3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -8.1790 4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -10.9660 3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3970 -10.4740 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -7.1400 5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 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 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 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 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 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 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 38 39 2 0 0 0 0 39 67 1 0 0 0 0 M END