IBS-ZINC05197864 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -2.2560 0.1690 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.4510 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -0.4060 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.2380 0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -1.5830 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -2.4170 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -2.9450 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -2.6090 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.7220 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -1.2550 -0.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.2860 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.2040 3.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 1.6750 2.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2850 2.6410 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 3.0540 4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 3.7370 4.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.4820 4.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.7300 3.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6450 0.7260 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 2.3670 3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 1.6230 4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 2.1860 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 3.5020 3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 4.2430 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 3.6940 3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 5.5110 2.9090 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 2.6010 6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.5870 6.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 0.5190 9.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 2.9850 8.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 3.0230 1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 1.2370 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -0.2950 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 0.0310 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -1.1610 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -2.7090 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -3.6200 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -2.9980 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 0.5920 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 1.5960 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 3.9510 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 4.3220 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 3.6200 6.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 2.4750 6.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.5700 6.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 1.6780 6.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 0.3980 8.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -0.3420 8.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 0.6620 10.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 3.8590 8.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 2.9500 8.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 3.0010 10.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 2.0350 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 1.7440 8.4600 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1550 1.8190 8.6830 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 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 31 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 54 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 54 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END