PUBCHEM-ZINC06196411 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 1.1060 1.6050 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 0.0870 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.3390 -0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -1.6870 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -2.0500 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -3.3950 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -4.4100 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.0360 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -2.6880 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -5.8630 -0.1080 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5920 -5.9300 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -6.5680 -1.4900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6540 -5.6350 -2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -4.8600 -2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -5.3230 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -4.5230 -2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -3.2580 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -2.7950 -3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -3.6040 -3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -1.4380 -4.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 -2.3980 -3.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5030 -2.8280 -3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -5.4450 -3.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -7.4630 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -8.1180 -2.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -7.5630 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -8.3310 0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -6.6770 0.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -6.5460 2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -7.8110 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -8.8020 5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -8.6750 6.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -8.7690 6.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -7.7190 6.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -7.7840 4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 1.9850 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 1.9720 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.0180 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -0.2990 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -0.2530 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -1.2750 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -3.6360 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -4.7860 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -2.4550 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -6.3020 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -4.9210 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -3.2420 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -0.6560 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -1.2460 -4.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -1.3670 -5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2040 -2.0280 -3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7990 -3.7210 -3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 -2.9970 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -7.2680 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -6.3590 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -5.6730 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -7.9500 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -8.7130 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -9.7610 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -8.6730 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -7.7290 7.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -9.4880 7.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -6.7520 6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -7.8380 6.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -6.9410 4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -8.7320 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -7.7110 4.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3080 -6.8060 4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 24 25 2 0 0 0 0 24 26 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 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END