IBS-ZINC04827939 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2180 3.9410 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 4.1120 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 6.1160 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 7.6450 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 8.2030 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 7.7330 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 6.2040 -4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 5.6470 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 5.7020 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 6.1720 -5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 7.7010 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 5.6140 -3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 4.0800 0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 3.7640 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 3.7400 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 7.9790 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 8.0030 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 9.2920 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 8.1310 -5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 8.0910 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 5.8700 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 6.0040 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 4.5570 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 6.1000 -6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 4.6130 -5.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 5.8140 -5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 8.0350 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 8.0980 -5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 4.5250 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 5.9480 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 3.8080 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 5.5810 -1.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 5.9280 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END