NIH-ZINC04040190 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 66 0 0 1 0 0 0 0 0999 V2000 0.0050 1.4810 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 0.0080 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.9070 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.1720 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -2.0550 -0.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.8140 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.7490 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.3260 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.8190 -2.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -1.4180 -3.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.1280 -4.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -3.4840 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.6170 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -0.7610 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -1.2360 2.5990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3550 -2.2370 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -1.4050 3.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -0.9910 4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -1.0210 6.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.5390 4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -0.1020 5.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -1.9940 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -3.4790 4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -5.3510 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 -5.7930 5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -5.8120 4.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3410 -4.5110 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 -3.9930 3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -0.2910 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -0.6580 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 0.2320 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 1.4690 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 1.8610 1.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 0.9800 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.1940 3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 2.0100 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 1.7650 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.8300 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -0.4470 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -2.0660 -5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -0.7040 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -3.8900 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -4.2120 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -3.3810 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -1.4440 4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -1.8530 2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -4.1050 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -3.6400 4.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -5.2770 6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -6.0260 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -6.8080 6.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -5.1380 6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 -4.5920 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 -3.8280 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -4.6520 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -2.9740 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -1.6290 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -0.0280 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 2.2010 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 1.3460 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 0.0030 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -3.9700 4.5940 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2890 -3.3280 5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 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 10 11 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 62 63 1 0 0 0 0 M CHG 1 62 1 M END