IBS-ZINC02160943 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.9770 1.1240 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.3220 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -0.8000 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.4420 -0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2720 0.2450 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -0.0360 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.7610 -2.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 1.2020 -1.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 1.7680 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 1.7950 -2.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5970 0.9840 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 2.8230 -1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 2.1900 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 3.2420 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2650 2.6510 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 3.4070 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0760 4.6250 1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0730 2.6610 1.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 2.5430 -3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 3.2470 -2.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.7900 0.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -2.9160 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -4.1270 -0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -4.3140 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -5.6110 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -5.8380 2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -4.7650 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -3.4660 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -3.2510 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -1.8920 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -0.9370 1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.2090 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 1.4640 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 1.8090 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.9300 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -0.2260 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -1.8580 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.6850 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 3.5940 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 3.3390 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 1.4480 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 1.6500 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 3.9750 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 3.7860 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 1.6490 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 1.6580 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7560 3.1390 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.7330 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -6.4500 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -6.8520 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -4.9420 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 -2.6290 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 2.3700 -4.6110 O 0 5 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 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 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 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 53 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 53 -1 M END