IFLAB-ZINC04139400 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.9430 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -2.3970 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -0.5790 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.1250 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -2.5180 3.7760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9260 -2.0780 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -4.0190 3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -4.7230 4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -6.0940 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -6.5030 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -5.1100 2.4730 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -2.1190 3.6890 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9290 -1.0330 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 -2.6320 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -2.7050 4.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -2.1300 5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 -1.1250 4.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 -2.7210 6.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 -2.1280 6.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 -2.6850 7.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8370 -3.8290 8.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -4.4220 8.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -3.8720 7.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5900 -4.4320 9.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -2.4510 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.1880 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.9100 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.4790 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -0.3340 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.0700 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 0.9570 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.6120 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -4.2590 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -6.7800 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -7.5320 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -3.7180 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.1960 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -2.3470 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -3.5070 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0080 -1.2360 6.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 -2.2270 8.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -5.3150 8.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -4.3330 6.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 -4.0000 10.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4320 -5.5110 9.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 -4.2230 9.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4910 1.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.0310 2.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 55 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 55 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 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 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END