IBS-ZINC02222011 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.0230 -5.1430 7.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -5.4890 6.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -4.4580 5.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -4.6380 4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -5.5800 3.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -3.5480 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -3.3540 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -2.1180 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -1.3450 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -0.1450 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 0.3120 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -0.4160 3.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -1.6140 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -2.4930 4.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -2.3860 5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -4.3000 1.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -4.3240 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -3.5260 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -5.5280 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -5.5380 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -6.4390 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -7.5040 -4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -8.9160 -4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -9.1110 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -8.0380 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -9.9690 -5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -4.1720 8.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -5.9040 8.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -5.0630 8.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -6.4510 6.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -5.5440 6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -1.6530 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.4330 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 1.2450 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.0600 4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -5.0670 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -6.4280 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -5.4780 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -4.6040 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -5.6550 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -6.4630 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -5.4450 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -7.3870 -4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -7.3460 -5.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -9.0390 -4.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -9.0960 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -10.0970 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -8.1610 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -8.0730 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -9.8460 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -10.9780 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -9.8980 -4.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -6.6680 -2.6650 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7710 -6.6330 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 53 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END