IBS-ZINC05562313 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -4.5020 -9.9350 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -8.8520 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -9.2970 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -8.6420 -1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -7.8010 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -7.1760 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -6.3220 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -6.0860 -4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -6.7150 -4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -7.5640 -3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -5.1690 -5.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -5.0540 -6.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -4.2350 -7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -4.0890 -8.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -3.2420 -9.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -2.5190 -9.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -2.6370 -8.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -3.4980 -7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -3.6620 -6.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -4.4990 -5.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 -2.9830 -6.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2470 -3.0730 -4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5320 -3.5970 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2570 -3.6900 -3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7010 -3.2580 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 -2.7340 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6890 -2.6470 -3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4370 -3.3510 -1.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3070 -4.3650 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4410 -5.2060 -2.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1130 -4.4540 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -10.0950 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -9.6180 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -10.8630 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -7.9230 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -10.2250 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -8.5250 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -9.4570 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -7.3590 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -5.8360 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -6.5350 -4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -8.0490 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -4.6430 -8.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -3.1310 -10.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -1.8540 -10.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -2.0710 -8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9640 -3.9320 -5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2570 -4.0970 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 -2.3980 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -2.2430 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3200 -2.6860 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8590 -3.6180 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1760 -4.4170 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8880 -5.3920 0.5970 H 0 0 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 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 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 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END