IFLAB-ZINC04519339 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4100 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.3760 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.7310 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -1.7950 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9590 -2.4840 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -2.0250 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -3.4040 -1.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -3.8360 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -3.0820 -3.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -5.2280 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -5.6790 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -6.9780 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -7.8350 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -7.3940 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -6.0950 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -9.2280 -2.3610 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5290 -9.6190 -3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -9.9840 -1.4490 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8260 -2.0830 1.4460 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -3.4590 1.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -1.0760 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -1.7840 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -2.7040 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -2.2360 4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.9350 4.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -0.2300 3.5900 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 2.0410 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6590 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 2.8430 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -1.8520 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -1.3360 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -4.0060 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -5.0120 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 -7.3290 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 -8.0680 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -5.7510 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -3.7360 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -2.8740 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.3980 5.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END