IBS-ZINC04312189 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0500 1.5020 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.0040 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.7010 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -2.0910 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.7820 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.1010 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.7010 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 0.0330 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -0.7170 -3.7560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1170 0.0500 -4.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5930 0.9660 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 0.3750 -5.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.0840 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 0.0540 -5.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.7850 -4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -1.3050 -3.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.1080 -7.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 0.1340 -8.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.4080 -8.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -1.3000 -9.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -1.6180 -10.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -1.0840 -9.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.2270 -8.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.8130 -5.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -0.6400 -5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -1.4320 -6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -2.3980 -6.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -2.5720 -7.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.7820 -6.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 1.2440 -2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -2.7750 2.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -4.2010 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.8920 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 1.8540 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 1.8510 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.1670 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.8620 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -2.6420 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.6680 -7.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 1.7980 -7.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -0.1410 -8.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -1.7410 -10.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.3130 -11.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 0.1930 -8.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 0.1140 -4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -1.2960 -5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -3.0160 -7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -3.3260 -7.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -1.9200 -6.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -1.7190 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -4.5570 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -4.5120 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -4.6230 3.2520 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 2 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 31 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END