IBS-ZINC04785845 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -0.6830 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -0.0190 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -0.7300 -0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9020 -1.8050 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -0.3410 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2070 1.0450 -1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 -0.3540 1.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8440 -0.8840 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 -0.7370 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 -1.9020 3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 -2.2540 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -1.4400 4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -0.2740 4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 0.0800 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -1.8160 5.9010 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2140 -2.8440 6.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -1.0990 6.3050 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1300 1.0550 1.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7610 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9890 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -1.7630 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 -0.9360 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -0.5270 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 1.3620 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -2.5390 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -3.1650 4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 0.3620 4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 0.9920 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 1.5900 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END