IBS-ZINC05217401 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0030 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6260 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1390 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.5500 4.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5270 -3.6300 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -2.1320 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -2.6970 3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -2.3530 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 -1.4100 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -1.0240 4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 -0.1100 5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 0.4490 6.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 0.1000 6.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -0.8380 5.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -1.2160 5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -0.6590 6.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -1.2540 6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -2.1700 5.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -2.7660 5.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.3880 7.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -1.4690 7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -0.9340 7.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -2.9750 7.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -4.2350 8.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -4.8480 8.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -6.0250 9.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.5950 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.7040 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1000 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.2170 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -3.4220 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -2.8030 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 -1.4500 3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 0.1850 5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 1.1710 6.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 0.5410 6.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -1.1760 8.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 -2.2540 8.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -3.2340 6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -4.9560 7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -3.9760 9.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -4.1270 9.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -5.1080 7.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -6.4670 9.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -3.6570 5.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -3.9130 4.3170 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 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 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 2 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 53 54 1 0 0 0 0 M END