NIH-ZINC06530580 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 69 0 0 1 0 0 0 0 0999 V2000 -1.3130 0.5860 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -0.6880 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -1.2110 1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -2.3790 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -3.0230 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -2.5080 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -1.3370 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -3.2160 -1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -4.3450 -1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -4.8730 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -4.1920 0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -5.8610 -1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -5.1410 -3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -4.6680 -4.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -5.1290 -4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -4.0670 -4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -3.0840 -4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -2.0860 -4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -2.0580 -5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -3.0290 -6.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -4.0290 -6.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -6.8360 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -8.0820 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -8.4690 -2.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -9.6880 -2.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -10.0550 -3.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -9.0570 -4.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -9.1310 -6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -9.4680 -7.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0660 -10.2480 -6.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -9.8810 -8.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -8.5850 -9.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -7.9110 -8.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -8.2750 -7.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.4430 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 0.5910 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 0.6990 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.7080 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -2.7680 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.9230 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.8060 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.5670 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -5.9820 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -4.5460 -4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -3.7550 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -4.4560 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -5.3620 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -6.0560 -4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -3.0900 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 -1.3300 -3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -1.2820 -6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.0070 -7.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 -4.7790 -6.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -7.0590 -5.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -6.4210 -5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -9.8980 -6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -8.1640 -6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -10.5790 -9.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -10.3700 -8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -8.7200 -10.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -7.9990 -9.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -8.2780 -9.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -6.8230 -8.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -5.7250 -3.8590 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7970 -6.1730 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 64 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 64 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 64 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 64 1 M END