IBS-ZINC05215624 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.7050 1.3150 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -0.1470 -0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.9020 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -0.8410 1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -1.5880 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.3970 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -2.4610 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -1.7110 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -0.7800 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -2.1040 -1.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -2.7470 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.0100 -3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.6220 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.0480 -2.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 0.1530 -4.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 1.5410 -4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 2.0860 -3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 3.4560 -3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 4.2860 -4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 3.7420 -5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 2.3730 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 5.6350 -4.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 6.4300 -5.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -2.6880 -5.0590 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6990 -2.9330 -5.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -3.0000 -5.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.1320 -2.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 1.7240 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 1.6970 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 1.6120 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.2100 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -1.5410 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -2.9810 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -3.0940 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -1.7580 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.2670 -5.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 1.4400 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 3.8800 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 4.3900 -6.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 1.9500 -6.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 7.4840 -5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 6.1600 -6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 6.2520 -5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -4.6390 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -4.5940 -3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 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 27 1 0 0 0 0 12 13 2 0 0 0 0 12 24 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END