NIH-ZINC04039387 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.7610 1.9570 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 0.4930 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -0.2940 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.6470 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -2.1790 -0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -2.3270 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -3.6920 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -3.8300 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -2.5600 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -1.6710 0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -0.6620 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 -2.0880 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -5.0480 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -5.5470 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -6.7630 1.3910 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4210 -6.6180 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -6.7110 2.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 -5.7090 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 -5.4560 4.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -4.9580 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -4.0600 3.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2800 -7.6240 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 -8.6910 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2060 -10.9430 5.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9510 -9.1870 5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -8.0870 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 -9.0220 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -10.2450 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -10.5990 0.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -9.6860 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -8.4370 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -5.6700 -0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -4.7930 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 2.6000 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 2.1890 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 2.1940 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 0.2650 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 0.2710 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4840 -2.0170 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -1.1000 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 -2.7730 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0430 -7.0160 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7400 -8.0800 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9230 -9.2330 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4230 -8.2550 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7510 -10.6380 6.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4570 -11.3510 4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9970 -11.6800 5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4620 -8.4090 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5370 -8.7890 6.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6480 -10.0050 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 -8.8190 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 -10.9950 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -9.9970 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -7.7630 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -6.5910 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -4.6590 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -5.7740 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -4.8060 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8220 -9.7290 4.4400 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2270 -10.0580 3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 32 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 26 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 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 60 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 60 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END