CHEMBRIDGE-ZINC04978068 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.8290 1.2830 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.2180 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.8790 1.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -2.2270 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -2.8950 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -4.2850 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -4.9880 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -4.3120 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -2.9350 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -5.0550 4.4560 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6240 -6.2720 4.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -4.4500 5.4970 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2490 -5.0010 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -6.1540 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -6.9680 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -7.6140 -2.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -6.5610 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -7.7630 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -8.4860 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -7.7510 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -8.6630 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -8.3410 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -7.1110 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -6.2000 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -6.5050 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -5.8240 0.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 1.4520 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 1.7870 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 1.6800 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -0.3870 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -0.6160 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -2.3490 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -6.0590 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -4.6170 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -9.6220 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 -9.0500 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -6.8720 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -5.2460 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -2.2750 4.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -1.9710 4.8080 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 3 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 1 0 0 0 0 18 20 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 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END