IBS-ZINC05164921 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -2.0410 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.4760 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -1.9660 -1.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4980 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.4500 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -1.5920 -3.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -2.0210 -4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.3900 -4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -4.2600 -3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -3.7590 -2.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -5.6320 -3.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -6.5400 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -7.9880 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -8.2300 -3.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -3.9070 -6.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0720 -4.0990 -6.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -4.1420 -6.9490 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5860 -1.1160 -5.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -0.1020 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.1990 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -2.4060 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -2.4520 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -2.0770 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -3.5650 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.1500 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -0.1080 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -5.9900 -4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -6.3440 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -6.3800 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -8.6640 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -8.1580 -4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -9.1300 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -0.1630 -5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -1.4350 -6.3290 H 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END