PUBCHEM-ZINC05764777 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -0.0210 1.4590 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7560 -0.6190 1.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4900 -0.1820 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -0.3780 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.2400 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.4100 -1.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5320 0.1910 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.9100 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.6900 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -2.1310 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -4.0910 -0.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -4.9870 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -4.6130 0.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -6.4600 0.0790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3220 -6.6680 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -6.8670 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -8.2360 -1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -7.2440 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -8.0660 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -8.7860 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -8.6830 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -7.8620 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -7.1460 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -0.5390 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -0.1650 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -0.7220 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.2790 2.6770 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -0.9720 3.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 1.1220 2.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.8410 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 1.8900 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.7320 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.5400 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -1.2260 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 0.7450 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -1.0210 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -2.0890 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -2.2330 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -2.5930 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.6120 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -2.3120 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -6.2390 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -6.7420 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -8.5620 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -8.1470 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -9.4280 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -9.2440 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 -7.7810 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -6.5070 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -0.1180 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.6240 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -0.5870 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 0.9200 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -0.3010 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.8080 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -0.8830 2.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -0.7260 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 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 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 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 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 2 1 M END