IBS-ZINC05112125 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.3510 1.2210 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -0.1120 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -0.6030 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 0.2600 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 1.5950 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 2.0960 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 3.5270 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 4.2290 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 3.5510 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 2.3580 0.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 4.3260 -0.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 5.6920 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 6.3660 -0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 5.7060 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 6.3110 0.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 6.3320 -1.2630 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 4.7410 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 3.8310 -1.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 4.4800 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 3.1530 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 2.2370 -1.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 2.8910 -2.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 1.5060 -3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4190 1.3640 -4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4610 2.4160 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8890 3.8160 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5600 3.9850 -3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -1.9290 -1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 1.6010 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -0.7870 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -0.1270 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 2.2640 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 4.0310 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 1.9930 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 5.2950 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 2.8770 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9700 1.2680 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2760 0.8260 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 0.3690 -4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5150 1.5130 -5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3560 2.2820 -4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7170 2.3020 -6.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6220 4.5640 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 3.9410 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0590 4.9400 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4810 3.9540 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.1840 -1.9900 H 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 28 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 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 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END