PUBCHEM-ZINC06193296 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 0.1860 -0.4330 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.0450 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.3250 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.1580 3.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 0.1630 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 1.5520 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 1.7430 1.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 2.0250 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 3.3590 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 4.5030 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 5.7660 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3380 6.9640 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 8.1680 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 8.1620 -1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 6.9540 -2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 5.7710 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 4.5690 -1.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 4.5610 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 3.3650 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 2.3390 -1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 9.4260 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 9.4380 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 1.6460 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 2.2710 2.6360 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.9590 3.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 0.8050 5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 0.5800 6.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6460 1.4830 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 0.1630 7.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -1.3440 7.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -1.5890 6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -0.4980 5.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -0.1270 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -1.1660 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 0.4410 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -1.3830 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -1.8960 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.1940 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -1.4040 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.0360 4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 1.2360 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.3490 2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 0.0330 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -0.6470 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 2.3340 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 1.7390 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 1.9720 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 1.2060 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 4.5210 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 6.9660 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 6.9430 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 9.8660 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 9.2350 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 10.1480 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 9.8500 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 10.1770 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 9.2650 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 0.4390 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -0.0670 5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 1.6840 5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 0.5680 7.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 0.4980 8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -1.7090 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 -1.8320 8.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -2.5350 5.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.5820 7.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.0100 1.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5790 0.8900 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 67 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 67 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 67 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END