IBS-ZINC02229790 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0940 1.7110 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 0.7860 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 0.3970 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 0.9400 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 1.8840 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 2.2630 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 2.2440 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 3.8260 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 4.3630 1.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 3.4120 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 2.4870 0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 4.6770 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 4.9590 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 5.9000 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9590 7.0340 -1.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 6.7180 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 5.8180 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 1.5470 -1.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 0.7710 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -0.0610 -3.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 -0.1300 -3.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 0.5460 -3.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -1.0180 -5.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 -1.1740 -5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.0730 -6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -2.6350 -6.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -2.0590 -5.9300 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 2.0090 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 0.3640 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -0.3270 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 2.9860 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 5.4350 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 4.0280 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8560 6.2310 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 5.3750 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 7.6370 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 6.1960 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 5.4570 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 6.3820 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -0.6000 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -0.6440 -5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -2.3090 -6.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -3.3590 -7.6800 H 0 0 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 3 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 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 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 18 40 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 M END