CHEMBRIDGE-ZINC04977928 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 1.0030 1.8920 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.2660 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 1.3420 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 2.7340 3.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 3.5690 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 3.4740 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 3.2050 4.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 2.5580 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 3.0160 6.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 4.1480 7.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 4.7980 6.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 4.3170 5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 4.9780 4.6320 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4470 6.1720 4.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 4.3020 4.4300 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2900 4.6620 8.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 5.1170 9.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 4.5990 8.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 4.9560 9.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 4.8420 9.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 5.1730 11.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7660 5.6210 12.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 5.7390 12.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 5.4040 11.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 6.1630 13.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 6.5180 14.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.8290 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 2.3440 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 2.4080 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 1.7250 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 0.2260 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 0.7780 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 0.8630 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 3.2200 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 4.6200 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 3.9470 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 3.9360 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 1.6850 4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 2.4580 7.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 5.6590 6.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 4.2760 8.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 4.4970 9.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5120 5.0820 11.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 5.8690 13.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 5.5040 11.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 7.3630 14.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 5.6590 14.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 6.8320 15.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 2.0160 1.0230 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9850 1.5820 0.5330 H 0 0 0 0 0 0 0 0 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 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 49 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 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 49 1 M END