IBS-ZINC05208481 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -1.3520 -0.2420 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -1.6610 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -2.6740 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -3.9740 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -4.2660 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -3.2420 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.9440 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -5.6630 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -6.0810 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -7.4540 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -7.7930 -0.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -8.6960 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -6.7380 0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -7.9580 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -9.1290 -3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -6.9430 -3.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -5.6930 -3.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3750 -5.2140 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -4.7650 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -5.2730 -4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -4.4220 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -3.0620 -5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -2.5540 -4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -3.4060 -3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -2.8630 -3.1250 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5060 -1.9320 -3.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -3.3470 -2.0820 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0040 -7.0580 -5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -8.3060 -5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -8.4170 -7.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -7.2860 -7.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -6.0420 -7.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -5.9250 -5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.0520 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 0.4460 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -0.0950 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -2.4460 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -4.7640 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -3.4630 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -1.1490 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -6.3350 -4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -4.8180 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.3970 -5.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -1.4920 -4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -9.1900 -5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -9.3870 -7.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -7.3750 -8.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -5.1600 -7.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -4.9540 -5.3460 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 13 2 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 31 32 2 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END