IBS-ZINC02128292 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0630 1.0760 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.2750 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -0.8170 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.0170 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 1.3340 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 1.8860 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 2.1640 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 3.3570 -0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 1.5040 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 0.1620 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -0.6000 0.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 2.2440 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 2.7160 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 3.3520 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 3.7390 2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5940 4.2770 2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 4.5600 4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 4.6400 5.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4330 4.7480 4.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4190 4.8530 3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5530 5.6290 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5470 5.1230 5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0650 4.8700 5.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6050 5.7250 6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0110 3.6140 6.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9030 2.4980 6.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 1.4970 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.9080 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -1.8710 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 2.9390 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -0.2470 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 1.5820 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 3.1030 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 3.4330 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 1.8650 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4820 2.6440 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 4.2400 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 4.4920 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 2.8640 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2650 3.5420 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6560 5.2080 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7300 3.8380 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0170 5.3550 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5120 5.4730 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3300 6.7030 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1430 4.2040 5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9880 5.8500 6.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 3.8570 7.8610 O 0 5 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 M CHG 1 48 -1 M END