IBS-ZINC06664550 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.3560 2.1890 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 0.8200 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -0.0950 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 0.3680 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 1.7300 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 2.6480 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 2.1810 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 3.3850 0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 1.1860 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 -0.1740 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.0470 -0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -0.5370 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -1.5310 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 1.6070 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 1.6970 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 1.1500 2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 2.4200 1.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 2.7250 2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5730 4.2360 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 4.9990 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 4.5170 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 2.9980 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 6.5230 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 6.9480 3.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 2.8980 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 0.4650 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -1.1570 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 3.7150 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 0.8880 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 2.5850 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 2.2290 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6390 2.3450 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 4.5640 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 4.4730 4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4170 4.8160 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 4.8690 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6340 4.9440 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0230 2.6310 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6930 2.6760 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3900 7.1840 1.1550 O 0 5 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 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 40 -1 M END