PUBCHEM-ZINC03873181 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 72 0 0 1 0 0 0 0 0999 V2000 0.2180 1.1710 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.2180 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -0.9520 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -0.2430 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 1.1480 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.8650 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 1.5230 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 0.3510 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7030 -0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -1.6790 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 2.9160 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 3.4500 1.3940 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1330 2.8420 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 4.9100 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 5.8380 1.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 5.0730 0.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 6.3770 0.8080 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2340 7.1800 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 6.4680 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 6.6930 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 6.9490 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 7.2790 5.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 6.5940 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 5.5410 -1.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 3.4340 1.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 3.5060 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 3.5100 4.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 3.6360 3.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9160 4.2100 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 2.2410 4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 2.2410 4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.8080 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 0.7880 4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 1.7210 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -0.7420 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -2.0360 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 2.9460 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 0.1760 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 2.9180 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 3.5900 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 4.2880 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 5.5570 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 7.2990 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 7.5570 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 5.8220 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9790 6.0680 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 7.7820 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 8.1550 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 6.4310 5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 3.3920 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 1.6290 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 1.7420 4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 2.7810 5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 2.7640 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.2620 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 0.2860 5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 1.2780 5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 1.2450 3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 7.6080 5.8580 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4220 7.8560 6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9140 8.4130 5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1520 6.8240 5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 7.7860 -1.0610 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1090 -0.6180 4.7480 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1220 -0.6640 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -1.1170 5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -1.1490 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 4.4280 5.0730 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5350 4.4960 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 5.3840 4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 4.0280 5.7330 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 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 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 63 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 68 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 64 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64 67 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 68 71 1 0 0 0 0 M CHG 1 59 1 M CHG 1 63 -1 M CHG 1 64 1 M CHG 1 68 1 M END