IBS-ZINC05217808 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.3510 1.7420 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 0.2260 -0.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2160 -0.2210 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.0950 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -1.6120 1.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3040 -1.8440 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -2.1310 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -1.8000 -1.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.3470 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.3680 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -3.2980 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -3.8420 -4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -3.4590 -4.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -2.5710 -3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -2.0280 -2.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -2.1970 -4.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -2.7810 -5.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -4.7720 -5.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -3.6990 -2.8650 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7920 -3.0820 -3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -4.6460 -2.1180 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6520 -2.2800 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 2.1880 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 1.9700 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 2.1500 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 0.3840 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 0.2730 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -1.6650 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -3.2120 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.1320 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 0.1100 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -1.5480 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -2.3680 -5.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -3.8620 -5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -2.5460 -6.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -5.0480 -4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -5.1480 -5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -2.0480 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -3.3590 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -1.9070 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END