IBS-ZINC05158225 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.3890 1.3170 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 2.5500 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 2.5200 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 2.3310 3.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 1.1990 3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.2370 1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 3.0550 4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 4.4240 5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 5.0060 6.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 4.2620 7.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 2.9470 6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 2.3350 5.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 2.1400 7.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 2.6370 9.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 1.5000 10.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 1.9290 11.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 2.4610 11.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 3.5840 9.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 3.1570 8.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 6.3530 6.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 5.2750 4.1210 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3820 5.1850 2.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 6.0400 4.4220 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6460 1.3330 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 2.1950 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 0.3950 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 3.4330 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 2.5210 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.6770 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 3.4180 3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 0.2630 3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 1.2020 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 0.3240 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 2.1130 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 1.1630 7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 3.4460 9.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 0.6260 9.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.1740 10.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 1.0790 12.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 2.7040 11.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 1.6440 10.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 2.8240 11.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 3.8930 9.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 4.4590 10.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 4.0080 8.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 2.3800 8.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 7.0180 6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 6.6630 7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.3300 1.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1470 0.4920 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 49 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 21 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 49 1 M END