PUBCHEM-ZINC06308546 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.2580 1.6070 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.0690 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -0.4960 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -1.9230 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -2.6130 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -3.9310 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.0210 2.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -2.7430 2.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -5.1470 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -5.8970 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -7.2010 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -8.4130 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -9.5070 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -9.2460 -1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -10.9170 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -11.2330 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -10.2970 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -8.8380 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -7.9910 1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -7.1490 -2.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -8.3120 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -8.4670 -2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -7.6550 -3.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -1.9490 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -2.5450 -1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -0.4300 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -0.3440 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.0000 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 2.0480 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.9590 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.3600 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 0.0390 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -5.8020 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -4.8720 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -5.2710 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -6.1270 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -11.6090 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -11.0170 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -11.1560 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -12.2690 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -10.5050 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -10.4560 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -8.0850 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -8.1650 -3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -9.2410 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 0.0230 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.1250 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.0240 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -1.4310 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 0.0710 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -9.4430 -1.6900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 43 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 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 51 -1 M END