PUBCHEM-ZINC07009167 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 1.2190 -0.2350 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.1070 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 1.6300 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.5350 0.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8560 -0.2310 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.0080 -1.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0630 1.0840 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -0.5910 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -2.1230 -1.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7720 -2.4560 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -2.0890 0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6940 -2.4300 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -2.7500 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -3.7240 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -4.3710 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -4.0590 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -3.1000 3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -2.4500 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -2.7660 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -3.7230 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 -4.3540 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 -4.0420 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 -3.0980 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 -2.4650 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.3820 -2.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 0.2700 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 0.1260 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.3130 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.2400 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.2720 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 2.1280 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.9030 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 2.0320 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -0.2240 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -0.2300 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -3.9900 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -5.1210 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -4.5640 4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -2.8560 4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -1.7040 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 -3.9900 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 -5.0910 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2040 -4.5340 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7650 -2.8550 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -1.7350 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -2.6060 -0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1540 -2.3970 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -3.6340 -0.0490 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 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END