PUBCHEM-ZINC03872791 MOE2007 3D CORINA 3.40 0006 02.08.2006 83 84 0 0 1 0 0 0 0 0999 V2000 -0.1720 1.1440 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 0.7050 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 0.3070 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.4520 -0.4200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2120 -1.2890 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.0770 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -0.8380 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -2.2700 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -0.2040 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 0.8070 -1.8740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5150 -0.8900 -1.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.0510 -2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.0920 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -2.7320 -0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -2.6690 -2.9320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3330 -2.1960 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -2.5540 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -3.1780 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -3.2750 -4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -1.0800 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -4.0730 -2.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -4.6080 -3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -3.9560 -4.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -6.1320 -3.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1340 -6.5450 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -6.4760 -2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -5.6940 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -6.0350 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -7.9910 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -8.9600 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -10.1770 -2.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -10.0510 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -8.6950 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -8.3130 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -9.2680 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -10.6060 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -11.0190 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -11.4170 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -6.7700 -5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 1.9300 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 1.5520 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.3060 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 1.5760 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -0.5810 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 0.0970 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 1.1190 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.9470 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -2.3550 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -2.8770 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -2.7160 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.1610 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.3430 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 1.0040 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -4.2290 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -3.1420 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -2.6390 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -2.8940 -5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -3.1270 -4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -4.3550 -4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 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-5.7730 -5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -0.7660 -0.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -6.7230 -5.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -6.1280 -5.6550 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 4 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 2 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 81 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 82 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 38 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 34 35 1 0 0 0 0 34 71 1 0 0 0 0 35 36 2 0 0 0 0 35 72 1 0 0 0 0 36 37 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 82 1 0 0 0 0 82 83 1 0 0 0 0 M CHG 1 10 -1 M END