PUBCHEM-ZINC04714858 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -1.5730 1.3160 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.2040 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -0.6500 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.9860 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -2.4880 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -3.8440 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.7070 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -4.2050 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -2.8480 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -6.0820 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -6.8630 -0.4810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3320 -7.9020 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -6.2940 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -6.7900 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -6.0350 1.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -7.5640 0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -7.5560 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -6.4300 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -6.4250 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -7.5400 3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 -8.6640 2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -8.6760 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -9.9030 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -9.8550 2.7860 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1120 -10.1750 3.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 -10.5160 1.8310 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6400 -6.8260 0.2400 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -8.1510 0.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -5.9610 1.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -6.8190 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 1.6570 3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 1.5890 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 1.7860 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -0.6740 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -0.4760 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -1.8160 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -4.2340 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -4.8750 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -2.4580 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -6.2130 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -5.3070 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -6.9570 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -8.1270 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -5.5580 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -5.5490 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -7.5340 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -9.8820 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -10.7960 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -9.9190 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -7.2340 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -7.4230 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -5.7960 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END