IFLAB-ZINC04138885 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.0050 1.4880 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.0420 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.5540 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -0.7670 -1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -1.2180 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -1.4650 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -1.2250 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -0.7760 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -1.5140 2.7960 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -1.0340 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -1.2040 5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -1.6100 5.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -0.9050 6.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -0.9700 7.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -1.9430 8.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -2.0040 9.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -1.0990 10.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.1290 9.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.0660 8.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 0.8560 10.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -1.9640 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 -2.1920 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -2.1620 -1.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -1.9120 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 -2.1070 -3.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -1.4540 -2.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -1.2040 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 -2.6590 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.8590 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.8500 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.8460 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.4000 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.4030 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -1.6650 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.0090 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.6450 6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -2.6500 7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -2.7600 9.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -1.1490 11.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 0.6880 8.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.4550 11.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 1.7980 10.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 1.0280 11.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -2.1080 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -0.9200 -4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -0.3960 -3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9270 -1.8160 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -3.2450 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 -3.2860 -0.4330 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END