IFLAB-ZINC04497045 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 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 0.0060 -0.7010 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.0820 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.6870 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0760 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -5.0030 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -6.4020 0.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1310 -7.1860 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -6.3910 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -4.9240 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -4.4900 -2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -6.5520 0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -7.7780 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -8.7580 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -7.9310 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -9.3920 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -10.1530 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -11.4930 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 -12.0710 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -11.3090 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -9.9690 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -13.5050 1.1340 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5900 -14.1760 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -14.0150 2.2290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.8640 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.8540 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.6250 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6010 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.2730 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -0.5140 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.0200 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -4.6010 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -5.0560 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -6.9210 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -6.8340 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.7680 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 -7.5270 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -7.3910 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -9.7010 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -12.0880 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 -11.7610 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -9.3730 2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END