IBS-ZINC02279497 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 0.7460 -2.0280 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -1.9880 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.4510 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -0.6120 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.2360 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.2830 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 1.6720 0.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 3.0080 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 3.3950 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 4.7410 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 5.0040 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 6.2520 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 6.2840 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9010 5.0780 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2590 3.9220 0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 3.8460 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 2.4360 0.4190 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3470 5.1010 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 4.1520 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5030 4.5780 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3050 5.7540 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0010 6.0640 -0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 7.5610 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0990 8.7680 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 8.6530 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 7.4870 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 5.6190 1.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 5.2150 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 3.9420 1.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -1.6860 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -3.0490 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -1.3770 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -2.3190 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -2.6480 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 0.5410 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -1.2080 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -1.6040 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -0.4900 3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 0.1450 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -0.5540 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -0.7190 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 1.7670 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 1.5910 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.9960 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0480 3.2470 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4450 4.0600 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0680 6.3460 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5910 7.6410 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 7.5450 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 9.6850 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 8.7800 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4460 8.4680 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 9.5770 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 7.7490 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 7.2880 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 5.9490 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -0.6150 1.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 57 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 57 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 29 2 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 27 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 26 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 M END