IFLAB-ZINC04497027 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.4040 1.7360 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.2370 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.5720 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.9450 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.5140 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -1.7000 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.3260 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.5590 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -3.9060 0.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -4.8560 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -6.2140 1.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2410 -7.0340 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -6.0410 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -4.5440 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -3.9980 -1.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -6.4190 1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -7.6690 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -8.6260 1.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -7.8760 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -6.7800 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -6.9800 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 -8.2630 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -9.3530 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 -9.1670 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -10.3560 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -10.7210 0.4600 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7190 -10.8960 0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -11.6710 0.3530 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4420 2.0680 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 2.2020 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 2.0200 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -0.1280 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -2.5760 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -2.1390 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 0.7440 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 0.0670 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.5060 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -4.5510 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -4.9230 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -6.5280 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -6.4400 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -5.6550 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -5.7790 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -6.1340 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 -8.4140 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -10.5780 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -11.2180 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -10.1290 1.3920 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 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