PUBCHEM-ZINC05973455 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 75 0 0 1 0 0 0 0 0999 V2000 -2.3050 -0.3040 5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.4350 5.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -1.4900 4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.6350 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -1.6770 3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -1.4010 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -0.3230 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -0.0340 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -4.1520 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -4.7410 3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -5.3840 5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -5.9170 6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 -5.8240 6.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 -5.2100 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -4.6740 3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -4.0710 2.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 -6.4310 7.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 -6.6750 8.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -7.4180 8.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7630 -8.3210 7.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -6.5750 7.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7960 -7.2880 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -5.5310 8.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -6.0970 9.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -6.8000 10.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7870 -7.8980 9.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9710 -8.5300 9.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -8.7940 10.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -8.9530 11.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -7.7040 11.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -7.4520 12.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -5.7830 10.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -0.4310 4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -0.2840 6.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.6660 5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -1.2950 6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -2.3850 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.6300 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.5290 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.5150 5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -3.5790 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -2.0050 3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -0.7570 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -2.3090 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -1.0730 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 0.6020 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -0.6440 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.9310 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 0.3200 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 0.7400 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -4.1590 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -4.7760 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -5.4850 5.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -5.1590 4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -4.1760 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -7.3820 6.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -5.7750 7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -7.2490 9.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -5.7070 8.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.6840 8.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -5.1070 7.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -5.2880 9.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -6.7960 9.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -9.7630 10.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -8.3340 10.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -9.8330 11.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -8.9930 12.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -5.2740 11.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -6.2520 11.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -4.9970 10.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -2.7280 3.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9940 -2.5290 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 71 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 71 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 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 51 1 0 0 0 0 9 52 1 0 0 0 0 9 71 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 2 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 71 72 1 0 0 0 0 M CHG 1 71 1 M END