PUBCHEM-ZINC02674129 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.3370 1.2610 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.1170 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -0.5850 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -1.8960 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -2.4940 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -1.8010 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -0.4850 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 0.1180 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 -2.4480 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 -1.7380 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -2.4430 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -3.8500 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6090 -4.6470 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5390 -6.0350 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3030 -6.6490 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 -5.8680 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 -4.4820 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -3.8050 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6520 -1.6580 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3870 -1.9270 -1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8630 -0.6680 0.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9590 0.3170 0.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.8310 -0.1420 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5420 1.6040 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3300 1.4110 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 2.7630 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 3.1630 -2.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3290 0.7660 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4290 0.5130 2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.4930 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.8990 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 1.4690 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.4610 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -3.5180 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 0.1020 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 1.1370 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -0.6580 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5900 -4.1870 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4480 -6.6290 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2330 -7.7300 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -6.3590 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2710 -0.5610 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3070 2.3780 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 2.0020 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4980 0.7270 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2270 0.9860 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9550 3.3110 -3.1360 O 0 5 0 0 0 0 0 0 0 0 0 0 -11.4660 1.2980 1.9610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M END