PUBCHEM-ZINC06173321 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 73 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6460 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.0130 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -0.8610 1.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -1.7800 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.1470 -0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.6060 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 0.8750 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 2.0180 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 2.9110 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 2.6350 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 1.4770 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 3.6850 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 3.7870 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 4.5520 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 4.0960 2.1070 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8260 4.7180 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 4.4410 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 5.0670 4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 5.9700 5.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 6.2510 5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 5.6360 3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 5.9170 3.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 6.8640 4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 6.0540 0.3950 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 6.0070 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 7.2300 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 8.0520 -1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 7.4100 -3.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 8.5550 -4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 8.3010 -5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 6.9880 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 6.5300 -4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 5.3200 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 4.5930 -5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 5.0570 -6.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 6.2590 -6.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.5750 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 0.1400 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.7980 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.1290 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.0840 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 0.1840 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 2.2220 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 1.2600 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 3.7370 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 4.8520 5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 6.4560 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 6.9560 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 7.8190 4.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 6.9960 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 6.4990 5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 5.1130 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 5.9900 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 9.4810 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 8.6000 -3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 9.1000 -5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 8.2180 -6.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 4.9520 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 3.6580 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 4.4860 -7.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 6.6220 -7.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 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 13 15 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 38 2 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 M CHG 1 18 1 M END