IBS-ZINC01185470 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0400 2.6090 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.6350 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 0.9910 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 1.3260 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 2.2960 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 2.9370 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 0.6090 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 1.2060 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 0.4800 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 0.9980 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5870 0.1540 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 -1.0580 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 0.9310 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 2.2770 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4340 3.1270 0.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 2.6420 0.3470 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 0.3450 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3220 0.2290 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 0.9510 -2.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2870 -0.7340 -1.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7830 -1.1210 -3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7550 -2.1290 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2880 -2.5820 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 -2.0380 -5.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8920 -1.0260 -5.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3570 -0.5720 -4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4340 -2.5310 -6.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2880 -3.4700 -6.9330 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0000 3.1080 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 1.3740 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 0.2330 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 2.5570 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 3.6890 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -0.4580 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 2.2800 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 -0.5940 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8100 0.9750 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0600 -0.6480 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6880 -1.2280 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1110 -2.5820 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0420 -3.3680 -4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5470 -0.5870 -6.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 0.2100 -4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0230 -1.9710 -8.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 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 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 2 0 0 0 0 M CHG 1 28 -1 M END