NIH-ZINC04057553 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -0.0380 1.8470 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 0.3500 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.3000 1.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.7240 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -0.6230 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -1.1590 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -1.7800 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -1.8760 4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -1.3400 3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -1.2680 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.6040 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -0.2730 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -1.1110 -0.0310 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6760 -1.7690 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -3.2890 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -4.0330 2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -3.8060 3.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -5.2490 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -5.8120 4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 -5.0600 5.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -3.5560 5.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 -3.0210 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 -5.5890 6.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -6.3380 7.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 -5.1180 6.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1600 -5.5650 8.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -4.9500 8.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 2.3460 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.2940 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 2.0590 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.1280 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 0.1330 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -0.1410 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -1.0900 4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -2.1970 5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3700 4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -1.3070 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.4560 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -5.7800 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -5.4100 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -5.7330 5.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -6.8800 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 -5.2460 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -3.3660 5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5790 -3.0030 5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 -3.0900 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 -1.9650 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 -5.2440 8.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 -6.6580 8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2070 -5.2450 7.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 -3.8570 8.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -5.2640 9.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 0.8360 -0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 53 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 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 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M CHG 1 13 -1 M END