PUBCHEM-ZINC05412011 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.7940 1.4540 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -0.0410 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.5020 1.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -1.8420 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -2.4430 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -3.9080 2.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7720 -4.1920 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -4.0240 0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -2.7730 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -2.5870 -1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -4.8370 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -7.0080 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -8.3260 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -9.1470 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -8.3370 1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -7.0180 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -0.8340 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -0.4540 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -1.2720 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -1.0380 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 -2.1330 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 -2.9780 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -2.4890 -1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -4.2380 -1.4790 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6140 -4.6650 -2.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -4.8090 -0.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4010 1.6490 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.8700 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 1.9560 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -2.2210 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -2.0630 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -4.4940 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -4.9130 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -6.4010 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -7.1630 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -8.9050 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -8.1280 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -9.4730 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -10.0530 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -8.9230 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -8.1410 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -7.1680 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -6.4120 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -1.7640 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 0.4650 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.1640 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -2.2760 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -6.2360 2.3120 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1060 -6.0790 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 48 1 M END