PUBCHEM-ZINC05870452 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.0140 1.6860 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 0.1570 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.3700 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -1.8990 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -2.4030 2.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -2.6770 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -2.5090 3.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -3.1790 4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -3.3520 4.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -3.8240 5.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -4.0430 6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -3.9280 6.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -3.5450 6.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1860 -3.5300 6.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -4.4500 7.7870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1580 -5.4880 7.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -4.1200 8.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -4.3670 7.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -5.0070 8.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -6.2620 8.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -6.8910 8.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -6.2740 9.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 -5.0250 10.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -4.3880 9.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -4.3570 11.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 -6.9640 10.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -4.2400 8.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -3.0470 3.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -2.5920 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -2.3390 1.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -3.2260 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 2.0760 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 2.0610 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 2.0090 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -0.2340 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.1670 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 0.0210 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.0470 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -2.2890 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -2.2220 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -2.5140 6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -3.8830 5.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -3.0730 9.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -4.7580 9.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -6.7440 7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -7.8660 8.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -3.4100 9.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6030 -3.7540 10.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -3.7170 11.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 -5.1170 12.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5320 -6.6890 9.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -6.6580 11.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -8.0430 10.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.4740 7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -4.8940 9.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -3.2010 8.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 -4.2340 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 -2.5000 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 -3.0770 4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 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 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 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 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M CHG 1 13 1 M END