CHEMBRIDGE-ZINC04311864 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 0.3010 0.8150 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.4690 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 2.8080 -1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 0.7100 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.1660 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.0250 -4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 0.0160 -5.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -1.1500 -3.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -0.7990 -2.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0800 -1.2240 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -1.3100 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -1.1420 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.6110 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -2.2490 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -2.4180 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -1.9530 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -2.7500 2.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3000 -2.6000 2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -3.3120 3.3210 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0630 -2.5120 -3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -3.0360 -4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -4.4580 -5.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.9750 -5.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -4.2770 -6.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 2.3280 -3.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.2550 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 1.2510 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 0.9750 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -0.6440 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -1.4790 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.9160 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -2.0880 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -3.1580 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.5050 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -2.3900 -5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -3.0430 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -5.1050 -4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -4.4520 -5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 3.1820 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -6.2100 -6.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -6.4970 -6.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 39 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 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 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 31 1 0 0 0 0 16 32 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 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END