IBS-ZINC04936612 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.2900 1.1680 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 1.7900 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 2.6940 -1.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 1.2240 -1.3660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2190 0.0240 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 0.2400 -3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -0.6380 -4.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 1.5290 -3.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 2.1770 -2.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6730 3.1210 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 2.4790 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 3.5740 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 3.8470 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 3.0300 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 1.9410 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 1.6620 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 2.1750 -4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 3.5260 -4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 4.1640 -5.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 3.4520 -6.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 2.1150 -6.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 1.4880 -5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 4.2670 -8.2240 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 3.1550 -8.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 5.1740 -7.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 4.9790 -9.0370 N 0 5 0 0 0 0 0 0 0 0 0 0 -4.3040 4.2450 -9.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -1.0090 -1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.1300 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 1.7210 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 1.2190 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 4.2250 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 4.6960 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6420 3.2430 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6320 1.3080 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 0.8020 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 4.1280 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 5.2090 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 1.5590 -7.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 0.4430 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 0.9320 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 28 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 17 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 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 26 -1 M END