NIH-ZINC04040194 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 66 0 0 1 0 0 0 0 0999 V2000 -0.1470 1.6150 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 0.6030 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.5620 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.2020 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -0.4890 0.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -0.7260 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.6020 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 1.5100 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 2.4740 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 1.1200 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 1.9440 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -2.4410 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -0.9540 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -1.8270 3.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0270 -1.0850 4.5920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9510 -1.4680 4.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -1.5360 5.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -2.2830 5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -2.7390 5.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -2.4540 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -3.0950 2.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -1.2310 7.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -0.1290 7.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 0.7460 9.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 0.6730 10.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 1.0500 11.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 0.1710 11.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.2110 9.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.4230 4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 1.0820 4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 2.4720 4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 3.1680 4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 2.5750 4.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 1.2250 4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -0.5120 1.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.8510 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 2.5600 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.2350 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 1.9180 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 2.9700 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 1.5440 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -3.2990 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -2.6730 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -2.3300 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -2.1580 7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.9630 7.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 0.8680 7.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -0.2700 7.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 0.3990 8.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 1.7600 9.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 1.3670 11.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -0.3320 11.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 0.4990 11.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8460 11.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.2180 9.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.5080 9.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 0.5240 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.9980 4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 4.2530 4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 0.7970 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.6830 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -0.1600 8.9800 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3350 -1.1210 9.2280 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 1 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 61 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 62 63 1 0 0 0 0 M CHG 1 62 1 M END