PUBCHEM-ZINC02771243 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.1410 1.2630 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.0800 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.7170 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -0.0020 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 1.3420 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 1.9740 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 3.4390 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 3.6030 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 5.0690 3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 5.9000 2.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 5.4560 4.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 6.8810 4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 7.0720 6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 7.7550 6.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 8.4660 5.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 7.4540 4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.0390 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.6960 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -2.7560 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -3.4250 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -4.0350 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -3.9760 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -3.3130 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -4.6300 2.6770 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9250 -5.2190 2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -4.5800 3.6280 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9460 -3.4880 -2.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6470 -2.9510 -3.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -4.0780 -1.9220 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7590 1.7600 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -0.6350 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.4950 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 1.8990 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 3.9400 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 3.8820 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 3.1030 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 3.1610 2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 4.7910 5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 7.4210 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 7.7060 6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 6.1040 6.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 8.4820 7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 7.0120 7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 9.4100 5.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 8.6240 5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 6.6630 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 7.9620 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -2.2790 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -4.5570 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -3.2720 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 27 1 M CHG 1 29 -1 M END