IBS-ZINC02204512 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.2280 1.0550 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.3250 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -0.8660 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -0.0240 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 1.3650 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 1.8950 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 2.2570 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 3.4510 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 3.8540 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 2.9700 0.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 2.0390 0.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 1.2690 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 5.0570 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 5.8480 -1.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 5.1420 -0.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 6.1430 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4130 7.2530 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 8.2090 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 8.0520 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 6.9500 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 5.9990 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 9.2840 -2.6560 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1430 8.5180 -2.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 9.7000 -3.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 10.4200 -1.5410 N 0 5 0 0 0 0 0 0 0 0 0 0 11.2060 9.9870 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -0.6200 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.4790 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.9770 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -1.9390 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.9670 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 3.9660 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 4.3690 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 7.4050 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0410 9.0680 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1470 6.8290 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 5.1460 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -0.0070 -0.9410 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 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 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 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 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 27 38 1 0 0 0 0 M CHG 1 25 -1 M END