IBS-ZINC05478531 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -1.6040 -7.7990 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -6.3580 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -5.7350 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -4.3920 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -3.6810 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -4.2450 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -5.6140 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -3.2040 -2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -2.0690 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -2.3760 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -1.7240 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -0.7820 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.5200 -2.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 0.0740 -0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 1.3830 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -3.1580 -3.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -4.1150 -4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -5.1390 -4.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.7960 -5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -4.6920 -8.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -5.9790 -8.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -6.9280 -8.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -7.2900 -7.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -6.0140 -6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -7.3900 -9.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -8.5820 -9.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 -9.0050 -10.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -8.2350 -11.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -7.0720 -11.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -7.8730 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -8.2830 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -8.3550 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -6.2980 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -3.9190 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -6.1200 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.3340 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 1.8620 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 1.9800 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -2.2870 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -3.0220 -6.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -3.4650 -5.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -4.1640 -8.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.0310 -8.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -6.4440 -8.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -5.7190 -9.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -7.8430 -6.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -7.9270 -6.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -6.2570 -5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -5.4980 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -9.2190 -8.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -9.9370 -10.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 -8.5360 -12.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -6.4270 -12.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -5.0300 -6.6090 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2780 -5.5120 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -6.6450 -10.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 54 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 20 54 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 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 56 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 56 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END