PUBCHEM-ZINC06470891 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.4120 1.2810 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 0.2380 0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2180 0.4490 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 0.2950 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 1.0110 -1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.0910 0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -1.8140 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.4480 1.2900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8090 -1.8720 2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -1.7980 2.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -2.3280 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -3.4800 3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -3.1840 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -3.6970 4.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -4.7780 3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -2.0360 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -3.2020 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -1.1500 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -0.6430 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 0.3960 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 1.7610 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 2.2600 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 1.2820 -3.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 0.0910 -3.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 3.6460 -2.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 4.3760 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 4.1070 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 2.6130 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 2.1780 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 1.1190 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 2.2910 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.2380 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -0.3590 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -1.4580 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -2.6370 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -3.9260 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -3.2490 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -3.9160 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -4.5350 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -2.8050 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -4.6870 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -5.6250 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -5.0300 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -1.7340 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -0.3290 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -0.2210 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -1.4860 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 4.1450 -3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2870 3.6740 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 5.4530 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 4.0390 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 4.5490 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 4.5700 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.3610 -2.2790 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 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 54 -1 M END