IFLAB-ZINC04499743 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.5400 1.2740 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.0090 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.6220 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 0.0000 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -0.6200 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.8670 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -2.4930 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -1.8660 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -3.7150 2.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -4.2970 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -2.4970 4.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -1.7600 5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -0.5490 5.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -2.4410 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -1.1910 7.3220 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 -2.2350 8.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 -1.6930 9.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -2.4760 10.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6490 -1.9140 11.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2880 -2.7370 12.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 -4.1260 12.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 -4.6490 11.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -3.8360 10.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 -4.3640 9.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 -5.5740 9.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 -3.5570 8.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 1.1850 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.6500 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.9650 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 0.9710 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -0.1340 3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -2.3470 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -5.2690 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -3.6440 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -4.4230 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -3.4630 4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -3.0720 6.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -3.0550 5.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -0.8410 11.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -2.3210 13.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 -4.7820 12.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -5.7210 10.9770 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END