NIH-ZINC06578075 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -1.2380 0.8880 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -0.3230 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.7780 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -1.9590 0.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -2.8710 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -3.9540 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -4.1480 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -3.2740 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -2.1290 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -1.1650 -1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.2950 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.5990 2.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 0.3810 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 0.7150 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 1.3030 3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 1.6390 3.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.3650 4.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 0.9030 4.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8760 0.0550 5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.9910 4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 1.8800 5.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 2.8700 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 3.9760 5.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 4.1120 4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 3.1240 3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 4.9270 5.5100 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 1.8260 5.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 3.3480 5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 3.7740 7.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 5.7520 8.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 5.8390 6.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 0.5760 1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.7860 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.9900 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 0.8390 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.6750 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -4.6860 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -5.0240 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -3.4170 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.0230 6.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 2.7850 6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 4.9850 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 3.2520 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.4700 6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 1.3560 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 3.6800 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 3.8300 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 3.4630 7.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 3.3490 7.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 5.3310 8.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 5.4100 9.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 6.8450 8.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 5.5980 5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 5.3960 6.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 6.9250 6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -0.1000 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 5.2840 7.1810 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0290 5.6860 6.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 10 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 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 2 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 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 57 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 57 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 57 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END