IBS-ZINC04614860 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.6060 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1680 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -0.4270 -3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8220 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.6060 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -1.9910 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -3.9600 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -4.6910 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.4650 -4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -3.6780 -4.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -1.7090 -5.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -2.3150 -6.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -3.5960 -6.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -4.0000 -7.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -3.0150 -8.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -1.4820 -7.7370 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -3.1810 -9.7640 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7900 -4.2980 -10.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -2.2020 -10.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.2450 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 0.1800 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.5880 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -5.7600 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -4.4280 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -4.4440 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -0.7410 -5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -5.0440 -7.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END