CHEMSTAR-ZINC04063501 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.3110 1.3980 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.1220 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -0.5390 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -1.9750 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -2.7670 0.7820 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -2.7080 2.4470 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -1.9840 -0.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.5470 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -4.4970 0.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3290 -4.5180 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -5.2150 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -5.3150 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -5.9740 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -6.5320 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -6.4330 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -5.7780 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -7.2370 0.0960 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7940 -7.3240 -0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 -7.7290 1.1100 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7510 -5.1600 1.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -5.3880 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -6.1490 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -6.3740 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.8390 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -5.0780 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -4.8580 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -6.0600 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -0.7840 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 1.7040 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 1.7000 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 1.8740 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.1800 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.1130 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -0.1210 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.1940 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -4.8790 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -6.0520 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -6.8690 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -5.7030 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -5.4420 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -6.5650 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -6.9660 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -4.6620 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -4.2700 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 -6.8540 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.4750 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -1.8680 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -0.4810 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END