IBS-ZINC04040157 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 2.0330 -0.4410 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.9870 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -0.8260 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -1.4880 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -2.0570 -0.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -2.6140 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.7730 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -2.2440 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -2.0000 -2.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -3.0200 -2.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -3.5470 -4.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -1.6330 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.1050 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -0.8300 3.5990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4710 -0.1900 4.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4400 -0.6950 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.4800 5.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -0.8910 5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -1.1750 6.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.9970 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -1.2700 4.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -0.2670 7.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -1.5530 7.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -0.7860 9.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -2.4590 10.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 1.2810 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 2.0410 3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 3.3940 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.3760 4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 2.0990 4.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 1.0130 2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -1.2150 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 0.3870 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -0.0740 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -4.1470 -4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -2.7350 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -4.1940 -3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -0.7150 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -1.8380 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -2.4560 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 0.4620 7.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 0.1770 6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -2.2660 7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -2.0360 8.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -1.5420 8.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 0.1670 8.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -0.6360 10.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.7090 10.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -3.2880 9.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -2.1800 11.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 1.6680 3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 4.2770 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 4.1450 5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.8560 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -1.2650 9.2770 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.5170 9.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 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 30 1 0 0 0 0 29 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END