IBS-ZINC04954008 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.8200 1.2290 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.0080 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -0.3090 1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -1.5300 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -1.7950 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -0.9730 3.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -3.0810 2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -4.0270 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -5.2170 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -5.5060 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -4.5620 4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -3.3550 4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -5.1310 5.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -4.7310 6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -6.3560 5.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -6.5760 3.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -0.8770 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -1.4600 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -2.2710 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -2.5120 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -1.9310 -3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.1140 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -3.3860 -4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -3.6290 -5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -4.4440 -6.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -5.0190 -6.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -4.7820 -5.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -3.9730 -4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 0.9800 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 1.6170 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 1.9850 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -2.1850 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -3.8090 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -5.9390 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -2.6300 4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -7.0480 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -1.2740 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -2.7220 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -2.1180 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -0.6610 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -3.1800 -5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -4.6330 -7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -5.6560 -7.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -5.2330 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -3.7920 -3.6900 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 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END