IBS-ZINC00518057 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.4220 1.1580 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -0.0740 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.4120 0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.8330 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.3280 -1.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8680 -2.7020 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -3.0920 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -3.0320 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -3.8680 -4.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -4.0240 -5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -4.4690 -4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -4.0060 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -4.4810 -2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -5.3930 -2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -5.8350 -4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -5.3810 -4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -2.6150 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -1.7000 -0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 1.9000 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.9030 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 1.5810 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.3910 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.6630 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -2.4690 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -4.1460 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -5.7600 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -6.5450 -4.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -5.7290 -5.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -3.7250 0.2030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 M CHG 1 29 -1 M END