PUBCHEM-ZINC05527839 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 67 0 0 1 0 0 0 0 0999 V2000 0.0480 1.5350 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.0270 -0.4130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8030 -0.3900 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -0.2830 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.0840 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -3.5940 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -4.2780 2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -4.0570 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -2.5720 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.5790 -0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.8430 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.6740 -2.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -1.3910 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -1.6220 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 -2.1630 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -2.3870 -4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -2.9110 -3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -3.2010 -2.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8400 -3.0270 -5.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2250 -3.4460 -5.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.4020 -4.1930 -4.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1230 -2.2360 -4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5140 -4.0640 -6.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -5.4700 -8.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -6.5400 -8.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -7.7230 -7.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6420 -7.4580 -6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 -6.4360 -5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 2.0290 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 1.7670 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.9680 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 0.0570 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 0.1810 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -1.5650 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -1.6890 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -3.8230 3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -3.9840 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -4.6220 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -4.4580 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -2.1810 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.4040 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -2.3360 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -0.6730 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -0.6800 -3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -2.3260 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -3.1070 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 -1.4610 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -1.4400 -4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -3.1140 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9270 -1.4520 -5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1810 -2.5120 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9310 -1.7920 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5160 -4.5000 -6.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3920 -3.3050 -7.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2230 -4.5430 -8.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4610 -5.8210 -8.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 -6.8150 -9.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -6.1740 -8.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 -8.4030 -5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -7.1140 -6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7160 -6.7980 -6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6460 -6.1930 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.7790 1.2210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.0880 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5000 -5.1550 -6.7880 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5830 -4.7620 -6.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 63 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 63 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 63 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 65 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 65 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 63 1 M CHG 1 65 1 M END