IBS-ZINC02239803 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.0410 2.5540 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 1.1220 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 0.1430 0.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1820 0.4100 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -1.2770 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 0.2080 -1.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 0.6540 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 1.0370 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 1.4820 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 1.5530 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 1.1830 -1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 0.7280 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 0.3270 -3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -0.1200 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -0.1650 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.5480 -2.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -0.5340 -4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -1.7170 -4.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 0.3950 -5.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 0.0090 -6.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -1.2440 -7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -1.6220 -8.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.7540 -9.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 0.4940 -8.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 0.8800 -7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 2.4740 -6.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 2.2720 -5.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 3.1250 -7.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 3.3210 -6.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 0.3870 -4.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 3.2510 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 2.6650 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.7660 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 0.9100 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.0110 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.5440 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -1.3250 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.9750 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 0.9850 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 1.7780 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 1.9040 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 1.2400 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.3320 -5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -1.9220 -6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.5960 -8.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -1.0520 -9.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 1.1690 -8.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 2.9070 -7.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 4.2320 -6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 0.0270 -5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END