IBS-ZINC02094895 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.2720 1.4170 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.0040 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.6700 1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -1.9690 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -2.5390 0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -2.4570 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -3.7350 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -3.7540 3.9550 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3100 -2.5770 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -1.7810 3.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -0.8230 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -4.8720 4.6960 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3230 -5.5260 4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -5.6140 3.9620 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8600 -4.9450 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -6.1940 5.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0900 -6.4360 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -5.1360 6.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7750 -4.4350 6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -4.3490 5.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 -5.6810 7.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 -4.5970 8.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -4.5220 9.8120 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -4.3660 9.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -7.4120 5.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -7.8600 4.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -6.7240 3.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -8.8390 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -8.5170 4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -4.8510 1.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 1.9490 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 1.9740 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.4050 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -0.5240 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 0.0310 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.3140 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -6.1520 7.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -6.4150 7.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -9.6980 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -9.1950 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -8.3590 3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -7.8140 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -8.8370 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -9.3790 4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -4.8910 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -5.7340 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -5.8490 10.5210 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5200 -3.2960 10.5680 O 0 5 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 34 1 0 0 0 0 2 35 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 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 M CHG 1 8 1 M CHG 1 47 -1 M CHG 1 48 -1 M END