IFLAB-ZINC04497103 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 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 4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -7.2650 5.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -7.4050 6.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -7.7520 7.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -7.9620 6.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -7.8170 5.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -8.3040 7.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -8.4310 9.0320 C 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 2.1500 -6.9940 4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -7.2430 7.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -7.8610 8.5060 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 -0.9590 -9.2020 9.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -7.4800 9.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -8.7070 9.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 34 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 35 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 36 1 0 0 0 0 16 37 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 38 1 0 0 0 0 20 39 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 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END