IBS-ZINC05112088 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -4.2420 8.3390 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 7.2920 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 6.6920 -0.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5910 5.3670 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 5.8430 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 5.9310 -0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 6.8670 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 4.7980 -2.4340 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 3.3140 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 2.2940 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 2.2350 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 3.0630 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 2.9580 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 2.0200 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.1910 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 1.2950 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 2.0160 -0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.0040 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 1.1110 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 0.5960 0.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 3.1050 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6560 1.9800 -2.5260 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1640 8.5170 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 9.2810 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 8.0430 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 1.3800 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 3.7950 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 3.6100 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 0.4530 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 0.6370 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 0.0050 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 1.1500 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 1.6590 -0.9220 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.0130 4.1040 -1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 26 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 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 2 0 0 0 0 M CHG 1 22 -1 M CHG 1 33 -1 M END