CHEMBRIDGE-ZINC04687361 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.1940 1.4370 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.0900 -0.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7810 -0.4620 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.5740 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -2.0960 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -2.5510 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -2.8220 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -3.2250 4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -3.3550 4.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -3.0810 3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -2.6790 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.6030 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.9000 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.6450 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -0.9400 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -1.5130 -3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -1.7870 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -1.4870 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -1.8120 0.2300 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8480 -2.3870 0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -1.4940 1.2270 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.6830 -5.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -0.2730 -6.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 0.9130 -6.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 0.3030 -6.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -0.8980 -5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 1.8520 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 1.8030 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 1.8410 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -0.0910 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.2590 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.6080 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -2.4170 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -2.7210 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -3.4350 5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -3.6670 5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -3.1800 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -2.4660 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.7560 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.1570 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -1.7910 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 -2.2440 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -1.1260 -6.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 0.0370 -5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 1.1100 -7.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 1.8210 -6.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 1.2010 -5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 0.0890 -6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.0960 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -1.7940 -6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 0.6300 -7.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8200 -0.1450 -8.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 1.4470 -7.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 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 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 51 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 51 1 M END