PUBCHEM-ZINC03791641 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.6970 1.4970 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 0.0730 0.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9700 -0.0020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 0.3160 2.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.4450 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -1.0000 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -2.1530 -0.1190 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0650 0.1080 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.4940 -3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.7280 -4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -2.4860 -3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.6810 -4.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -4.1610 -5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.4510 -6.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -2.2420 -5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -1.5300 -5.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -1.8370 -7.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -1.0030 -7.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 0.1610 -6.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.4660 -5.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -0.3570 -5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 0.1600 -4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.3950 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 1.5770 -4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 2.2160 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 1.5880 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 1.8000 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.9940 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 0.7130 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -0.9210 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.6080 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.1980 -2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.0970 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -2.1750 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -4.2340 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -5.0900 -6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -3.8680 -6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -2.7290 -7.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -1.2700 -8.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 0.7970 -6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 2.0450 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 2.3860 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.3640 -1.2150 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5130 -0.3560 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -1.3880 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 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 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 7 -1 M CHG 1 43 1 M END