NIH-ZINC03938739 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 0.4180 1.3320 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0620 0.0870 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4640 -0.3510 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -0.0900 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -1.1420 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -1.2640 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -1.8040 0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -1.3630 0.4860 P 0 0 3 0 0 0 0 0 0 0 0 0 4.2570 0.1090 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -2.1060 1.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -2.4240 2.4080 P 0 0 3 0 0 0 0 0 0 0 0 0 6.6180 -2.6160 1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -3.6570 3.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 -4.2660 3.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -5.4840 4.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2780 -5.2340 5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2600 -6.0040 5.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2490 -6.0480 5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -7.4200 6.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6220 -8.0790 6.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 -7.7680 4.7720 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8850 -7.9400 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 -6.6090 3.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 -8.9660 4.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -10.0710 3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -11.2140 3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -11.2370 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -10.1990 2.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 -9.0060 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -8.0190 3.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -12.3890 2.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -7.3170 7.1180 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3450 -5.2290 6.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 -5.7860 7.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 1.3940 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 1.5040 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 2.0620 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.3050 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -1.3980 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -0.1270 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 0.1210 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -1.0830 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 0.6750 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.0910 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.8790 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -1.9630 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -0.3070 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 -4.5530 3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 -3.5300 4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -9.9810 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -12.0950 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -13.2480 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8800 -12.3710 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -2.2260 -0.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 -1.1830 3.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -1.0490 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 -2.4000 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 54 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 55 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 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 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 33 34 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 2 1 M CHG 1 32 -1 M END