CHEMBRIDGE-ZINC01162464 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.1400 0.7950 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 0.8710 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 2.8980 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 3.4380 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 4.8750 -0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 5.8630 -0.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7860 5.7110 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 7.1210 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 8.4520 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 9.0060 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 10.2090 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 10.4690 -3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 9.4610 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 8.2130 -3.2450 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 9.0400 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 6.9170 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 7.8260 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 5.4560 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 4.9200 0.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 5.7540 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 5.2710 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 5.1400 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 5.4940 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 5.9740 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 6.0980 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 5.3540 1.2600 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4840 4.8960 0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 5.6860 2.4300 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1170 -0.2930 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 1.1910 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 1.0650 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 1.2230 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -0.2220 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 1.2510 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 3.2570 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 3.2070 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 3.2190 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 2.9610 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 10.8720 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 11.3540 -4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 9.3990 -5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 7.3160 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 4.9970 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 4.7680 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 6.2610 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 6.4820 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 1.3810 1.1580 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7970 1.0370 0.8760 H 0 0 0 0 0 0 0 0 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 1 47 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 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 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 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 47 1 M END