CHEMSTAR-ZINC03097991 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.2090 1.1300 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.1900 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.5470 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -1.7660 1.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.8810 0.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1140 -3.3490 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -3.5930 2.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0970 -3.6380 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -2.3750 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -2.0800 3.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -4.8980 2.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -6.0820 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -6.1550 1.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -7.3120 1.9940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3410 -7.2620 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -7.3380 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -7.5450 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -7.5730 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -7.4080 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -7.2190 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -7.1860 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -8.5170 1.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -9.7120 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -9.7870 3.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -10.7850 2.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -10.7580 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -12.1900 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -12.9000 1.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -12.0880 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -12.5000 3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.3260 -0.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -1.0480 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 0.4590 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 1.3030 2.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5420 1.7200 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 1.7390 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 0.9560 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -4.9190 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -7.6980 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -7.7340 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -7.4350 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -7.1010 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -7.0390 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -8.4280 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -10.3850 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -10.0800 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -12.6220 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -12.2840 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -13.8820 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -1.5310 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -0.4180 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 0.3230 1.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 38 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 16 1 0 0 0 0 14 22 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 52 2 0 0 0 0 M CHG 1 34 -1 M END