IBS-ZINC04951581 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.5470 -1.6680 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.8030 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -0.3430 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 0.2340 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -0.4490 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 1.0060 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 1.1100 3.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 1.3910 4.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3770 2.2860 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 1.6630 5.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2590 1.2230 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 0.9560 3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 0.6530 2.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 1.1090 5.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 3.1330 5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 4.0010 5.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 3.5390 7.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 4.7750 7.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 5.1940 9.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 4.3850 9.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 3.1610 9.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 2.7360 8.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 0.2450 4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.4730 4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -0.5640 4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -1.8310 5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -2.0820 5.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -1.0470 4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -2.8270 5.3610 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.5760 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.8250 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -1.5230 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.9710 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.6280 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 0.3500 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -1.3170 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 0.3970 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 1.1980 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -0.4330 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -0.9650 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -1.0050 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.5240 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 1.5460 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 1.0580 6.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 5.4160 6.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 6.1530 9.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 4.7120 10.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 2.5400 10.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 1.7880 7.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.4600 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -0.3880 4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -3.0790 5.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -1.2690 5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -0.5210 -0.0920 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0070 0.2600 -0.2530 H 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 54 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 54 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 54 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 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END