PUBCHEM-ZINC03872715 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 1 0 0 0 0 0999 V2000 0.7060 0.0170 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -1.3630 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -2.3080 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -1.3120 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.5140 2.2770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0600 0.4850 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -0.3670 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 0.7010 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 1.6040 2.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -1.2230 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -2.1880 3.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -0.6860 1.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -1.1160 1.5510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6740 -2.0670 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -0.0620 2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 0.1170 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -0.5850 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 -0.1530 5.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -0.5040 6.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 0.8300 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 1.0280 4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 1.9930 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 2.7020 4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 2.4770 6.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 1.5400 6.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -1.3210 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.6360 -0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -2.2870 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -2.5840 -1.3350 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7000 -1.6420 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -3.5200 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 -3.1250 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1280 -2.2740 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4210 -2.7280 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6270 -4.0350 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5400 -4.8890 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 -4.4380 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 0.4880 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.0600 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.6880 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -1.7710 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -1.9570 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -3.3160 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -2.3850 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.3420 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -0.8930 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -0.0940 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -1.3310 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 0.0370 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 0.9040 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -0.3460 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -1.3650 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 2.1700 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 3.4190 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 3.0290 6.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 1.3590 7.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -2.8210 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -4.4470 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -3.7860 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -3.0410 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 -1.2460 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2680 -2.0590 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6330 -4.3860 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7000 -5.9070 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -5.1210 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 0.5520 4.8420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 44 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 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 2 0 0 0 0 8 66 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 56 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 57 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 35 36 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 M CHG 1 66 -1 M END