PUBCHEM-ZINC03657054 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 1.1720 -0.6120 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0070 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.3160 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 2.0170 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4110 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.1000 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -0.5400 1.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5690 -1.6930 1.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 0.0880 1.0320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2670 3.4200 -0.8550 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2510 3.9540 -1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 4.0400 -0.8340 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.7640 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.1750 0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.1070 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -2.9500 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -4.2430 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -4.4260 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -2.9750 -0.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0120 -2.7040 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -2.8370 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -2.0880 1.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -3.5460 1.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -3.4130 2.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1950 -2.3840 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6890 -3.7750 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2470 -2.7740 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -1.8600 0.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5170 -2.8940 0.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -4.3400 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -5.0410 3.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.6340 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 1.7900 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.9640 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -2.4520 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -3.1810 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -4.1010 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -5.0860 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -4.9830 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -4.9220 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -4.1460 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -4.7720 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2840 -3.7620 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0710 -3.6240 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -2.2490 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -4.3880 4.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -4.9980 5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 19 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END