IFLAB-ZINC04497567 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.1330 1.2970 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.2080 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.8810 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -2.2590 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.9740 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.2890 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.9110 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -0.1830 -2.6060 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9520 -0.6410 -3.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 0.8740 -2.7720 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1560 -4.4500 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -5.0700 -1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -5.1090 1.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -6.5720 1.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8800 -6.9410 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -7.1970 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -7.4070 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -7.6140 3.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -7.3310 3.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -7.0810 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -7.4740 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -7.2650 5.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -7.4070 6.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -7.7580 7.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -7.9640 6.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -7.8170 5.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -8.3020 7.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -8.8030 8.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -7.8870 9.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -7.9010 8.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.7110 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.6250 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.6420 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.3270 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -2.7830 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.8360 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -4.6140 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -6.5120 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -8.1490 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -8.0030 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -6.3210 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -6.9930 4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -7.2440 7.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -7.9750 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -8.8020 9.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -9.8180 8.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -6.8720 9.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -8.2540 10.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 36 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END