IBS-ZINC04857170 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -0.0230 1.5030 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0040 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -0.7080 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -2.0900 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -2.0650 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.6830 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5180 -4.6580 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -4.8160 -0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7010 -4.3010 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -6.2170 -0.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5580 -6.9540 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -6.5230 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -7.1010 -2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -6.0140 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -5.1330 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -4.7100 1.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -6.3690 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -5.8050 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -6.1560 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 -7.0690 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 -7.6320 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -7.2810 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -8.6090 -1.2530 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3320 -8.9160 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -9.1060 -2.2050 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0790 -3.6770 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.9340 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -4.8950 -2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.8540 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.8810 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.8630 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -0.1780 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -2.6400 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -2.5950 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -0.1330 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -5.0930 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9900 -5.7180 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1520 -7.3420 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -7.7180 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -3.6600 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.7320 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -3.0080 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -4.4080 -4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -4.3450 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -5.5110 -3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -5.7300 -1.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -4.7880 -1.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 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 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END