IBS-ZINC05235346 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 1.2950 0.5320 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.3740 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 2.5200 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 3.0030 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 4.5170 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 5.0230 4.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 5.3210 5.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1480 4.3190 5.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 5.9440 5.8850 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3550 5.6180 4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 5.1700 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 4.9490 2.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 5.6900 4.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 7.4410 6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 8.2350 5.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 7.9680 7.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 9.1500 7.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 9.6310 8.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 9.0270 10.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 7.8980 9.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 7.3300 8.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 6.1020 6.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 7.0880 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 7.7970 5.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 7.5560 6.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 6.6190 7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 5.8970 7.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 4.9830 8.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 4.9300 9.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 8.6760 4.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 9.4070 5.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.5600 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 0.8740 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.9440 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 0.7630 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.7090 3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 0.6080 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 2.8610 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 2.8770 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 2.5160 3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 2.7410 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 5.0090 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 4.7750 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 5.4070 6.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 9.6810 6.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 10.5420 9.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 7.4450 10.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 6.4330 8.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 7.3120 4.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 8.0860 7.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 6.4780 8.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 4.2430 9.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 4.5320 9.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 5.9100 9.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 8.7370 5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 10.0510 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 10.0520 5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 1.0090 2.6400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5990 0.6770 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 58 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 58 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END