IBS-ZINC04777055 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 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 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0760 -4.6440 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -4.7980 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -6.2920 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -6.9940 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -8.3860 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -8.9900 -1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -8.2930 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -6.9740 -1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -8.9640 -1.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -10.3430 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -10.9930 -1.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -12.3010 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -13.0140 -1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -14.4080 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -15.0460 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -14.3330 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -12.9780 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -12.2870 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -10.9580 -1.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -15.0730 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -16.5440 -2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -13.0180 -1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -6.2760 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -6.8720 -0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -4.7650 -0.7600 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 -2.0680 -4.5260 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -4.3410 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -8.9540 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -8.4720 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -14.9720 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 -12.4400 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5230 -15.3600 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8380 -14.4270 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 -15.9660 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -17.0140 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -16.8290 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -16.8730 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -13.3000 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -13.9140 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -12.3600 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -4.4660 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -4.3450 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 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 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 M END