IBS-ZINC02382942 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -2.0130 2.8760 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 1.8300 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 1.5090 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 0.5670 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.0900 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 0.2140 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 1.1610 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 1.4110 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 1.3380 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.6510 -3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.9140 -3.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.7470 -2.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 2.2640 -5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 2.8070 -5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 3.1950 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 4.2950 -3.4860 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2960 3.2320 -6.8440 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 2.0830 -6.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 2.4660 -7.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -0.6830 -6.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 1.3290 -7.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 0.3090 -7.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 0.7580 -6.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0060 1.1160 -7.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -1.0970 2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -1.6310 2.0370 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3580 3.5940 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 2.3990 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 3.4560 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 2.0020 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 0.3470 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -0.3140 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 1.0890 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 1.6880 -4.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 2.0800 -5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1990 0.4630 -8.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 0.6560 -6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5170 2.0670 -7.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 2.4040 -3.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -1.3340 3.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 39 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 40 2 0 0 0 0 M CHG 1 16 -1 M CHG 1 26 -1 M END