IBS-ZINC02351205 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 0.0920 1.1610 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.0050 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -0.6290 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -0.1470 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -0.7880 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9260 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -2.4070 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -1.7630 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.2760 1.5080 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3680 -3.2700 2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.7040 1.4740 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6160 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 -3.8280 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 -1.9020 0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4030 -2.5620 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9750 -2.2210 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 -0.7440 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6920 -0.2090 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 1.1360 3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 1.9620 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 1.4270 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 0.0760 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -0.4350 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6710 3.2870 2.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7260 4.0700 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4530 1.6510 4.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3470 0.7420 4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.5710 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.8830 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.9110 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.7320 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -0.4130 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -3.2860 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 -2.1990 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 -3.6420 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0240 -2.5130 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -2.7710 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3880 -0.8500 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0650 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -0.0880 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 -0.0570 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 3.6800 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 4.0230 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 5.1060 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0100 0.2960 4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7740 -0.0420 5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9400 1.2810 5.5600 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 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 12 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END