PUBCHEM-ZINC04543616 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 51 0 0 1 0 0 0 0 0999 V2000 0.3490 1.8940 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.3900 -0.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8570 0.0880 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -0.3380 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -0.7390 0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.4460 2.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -1.1120 3.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9840 -1.8750 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -0.0800 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -1.8020 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -1.0400 4.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.0750 -1.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 0.0050 -2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 0.5800 -2.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.7010 -3.8050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2230 -0.2510 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -2.2070 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.8860 -4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -4.3060 -4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -4.9850 -5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -6.2750 -4.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -7.0440 -5.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -6.7270 -6.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -8.3500 -4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.3720 -5.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.8820 -5.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -1.6960 -4.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -0.3480 -6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 2.1970 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 2.4330 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 2.2210 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 0.3640 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.7460 4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -0.5270 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.4830 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -2.3550 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -2.7230 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.9130 -5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -2.3080 -4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -4.2730 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -4.9050 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -5.1390 -6.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -4.3750 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -6.6140 -3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -9.0810 -5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -8.7170 -5.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -8.2250 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.2900 -5.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -0.7670 -7.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -0.6320 -6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 0.7430 -6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -3.0640 4.0890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 52 1 0 0 0 0 12 13 1 0 0 0 0 12 35 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 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M CHG 1 52 -1 M END