IFLAB-ZINC04139203 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -1.0440 0.8940 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -0.5370 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -1.4550 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -2.7810 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -3.2080 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -2.2850 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -0.9590 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -4.6480 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -5.4350 -0.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -6.1560 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -6.2710 1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -6.8580 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -6.8550 -1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -7.4620 0.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -8.1490 0.7530 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2110 -7.4580 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 -8.2750 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -9.4910 -0.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0930 -9.2400 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -10.4530 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -10.6310 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -11.6210 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -12.1760 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -11.5070 1.8600 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 -11.3080 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 -11.9720 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0140 -11.0290 -2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -9.9680 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -9.2000 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 1.4750 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 1.3350 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 0.9730 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.1440 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -3.4850 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -2.5900 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -0.2570 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -4.7400 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -5.0570 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -5.4500 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -7.4100 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -7.2780 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -8.8130 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -8.7750 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -10.0720 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -11.9110 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -12.9460 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -12.0300 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -10.8670 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 -12.7670 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4390 -12.4270 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 -9.2910 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 -10.3770 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 -8.7480 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 -8.4370 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -10.1530 -0.3570 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1770 -10.5640 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END