PUBCHEM-ZINC06015120 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 0 0 0 0 0 0999 V2000 1.5070 1.0280 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.3720 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -0.9640 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.3130 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.6440 0.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -1.9300 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -0.7110 -0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -3.3060 -0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -3.7840 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -3.5190 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 -4.5280 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -5.8530 -4.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5820 -6.6150 -4.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -6.9320 -2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1550 -5.6630 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -4.3570 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -4.3600 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -3.7770 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -3.8440 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -3.2020 -3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -3.3030 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -4.0190 -5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.6760 -5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -4.5820 -4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -5.2250 -3.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -5.7740 -4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -5.1550 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -5.7130 -2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -4.1260 -6.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -3.1640 -7.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.1160 -5.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -2.6650 -4.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 0.9980 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 1.4490 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.7100 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -1.0080 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -0.9900 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.3710 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.9910 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 0.1980 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 0.2420 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -2.4070 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -4.8420 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -3.2750 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -3.0060 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -2.9210 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -3.9760 -4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -3.9120 -3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -5.6580 -5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -6.4510 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -7.5290 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -7.5530 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 -5.0590 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -5.9110 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -4.2220 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -5.3380 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -3.2330 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -2.6300 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -5.2400 -6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -3.4640 -7.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.1880 -7.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -4.1000 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -2.4140 -6.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -4.8020 -2.4060 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1400 -5.3480 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 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 16 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 11 64 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 14 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 15 64 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 57 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 58 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 64 1 M END