PUBCHEM-ZINC04102194 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 79 0 0 1 0 0 0 0 0999 V2000 -1.2370 1.8180 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 0.5120 0.4590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8680 0.7400 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -0.0430 1.5840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0080 -0.2350 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 0.2370 3.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1730 0.9370 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -1.0170 2.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 0.2020 4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.1590 5.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7590 0.8060 5.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -1.2590 5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.1350 6.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -1.7190 7.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1150 -1.6520 8.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.3470 6.7610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9210 -0.4250 5.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 0.6710 6.5110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5940 1.6300 6.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 0.9160 7.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 1.5420 7.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.1290 7.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 0.5330 8.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -2.7860 7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -3.9560 8.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -5.0450 7.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -6.2570 8.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -6.6160 9.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -6.9100 7.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -8.1190 7.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -8.7220 6.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -10.0240 7.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -10.6210 6.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -11.9280 6.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -12.5250 5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 -13.8330 6.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6530 -14.4310 5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3320 -15.7470 5.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -16.2040 6.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -3.7600 9.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -0.5490 -0.6570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0340 -0.9750 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -0.0290 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -1.6250 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -1.8430 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 1.6350 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 2.3320 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 2.5030 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.6360 3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 1.1190 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -1.2460 6.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -1.6880 5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -3.1490 6.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -2.3630 7.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -5.0670 6.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -8.8180 8.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -7.8910 8.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -7.9930 6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -8.8950 5.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -10.7450 7.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -9.8360 8.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -9.9010 6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -10.8070 5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -12.6480 7.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -11.7420 7.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -11.8060 5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -12.7090 4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -14.5520 6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -13.6500 7.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -13.7100 4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 -14.6140 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -2.7280 9.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -4.3930 10.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -3.9570 9.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 0.4250 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 0.7080 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -0.8530 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 -16.2200 4.6690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 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 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 38 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 2 0 0 0 0 38 78 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 78 -1 M END