NIH-ZINC04079372 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 76 0 0 0 0 0 0 0 0999 V2000 0.6460 2.4510 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 0.5140 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 1.2340 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 0.2330 2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9050 3.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 1.4650 4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 1.4010 5.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 2.1780 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 2.5540 6.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 3.3980 6.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 4.5850 6.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 4.2530 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 3.4260 4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 6.0700 6.6450 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 7.0810 5.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 6.2130 7.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 5.8820 6.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0600 5.9000 5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4200 6.4810 5.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0610 5.7040 7.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1080 5.5930 8.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7550 5.0320 7.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4020 4.3780 6.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8250 4.3840 6.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2530 5.3690 7.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2580 6.3880 7.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 0.7530 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 1.6380 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 1.9420 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 2.7740 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 3.3080 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 3.0100 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 2.1780 1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.8760 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 3.0320 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 3.1370 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -0.0220 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.1950 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 1.8730 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 1.8930 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -0.4170 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -0.3980 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 0.9590 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 1.4820 4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 3.1180 6.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 1.6450 7.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 3.6810 7.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 2.8190 6.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 5.1550 3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 3.6880 4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 3.1420 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 4.0480 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 4.8850 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6160 6.5220 4.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0730 6.4620 5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3110 7.5360 6.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5410 4.9440 9.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9780 6.5810 8.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 5.0300 8.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8540 3.9990 7.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2300 3.3810 6.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0840 4.7310 5.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2110 4.9320 8.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2480 5.7840 7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.0070 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 0.2310 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.5360 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 3.0050 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 3.9540 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 3.4230 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 1.9510 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.4900 1.0780 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0530 2.0580 1.9130 H 0 0 0 0 0 0 0 0 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 1 72 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 2 72 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 31 32 2 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 72 73 1 0 0 0 0 M CHG 1 72 1 M END