IBS-ZINC00000711 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7700 1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.0550 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.0860 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7850 -1.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.3260 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.1460 -2.9960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9570 -1.0740 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 0.2120 -4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 0.9040 -2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.2940 -1.5290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0520 -4.4000 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -3.1820 -2.7410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.9140 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -1.0650 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.6250 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 1.1400 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.3400 -4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -0.5890 -5.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 1.0740 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END