PUBCHEM-ZINC05212006 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.0060 1.5030 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0020 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.7500 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.1280 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.7680 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.0070 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.6300 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.1920 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -2.6900 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.2450 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -4.8440 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -4.9860 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -6.3260 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -7.0710 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -6.3960 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -7.1010 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 -8.4740 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -9.1500 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -8.4580 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -10.6180 -1.1720 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5770 -11.2300 -1.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -11.2140 -1.1870 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0160 -2.9400 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.0570 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.8790 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 1.9040 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8150 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 0.4030 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.3620 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 1.1300 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.7860 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -2.0970 -3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -3.6790 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -4.4620 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -6.8500 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -5.3250 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -6.5820 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -9.0220 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -8.9850 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -3.0640 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -3.9190 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.4260 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 0.0980 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.6740 3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 0.9060 2.4870 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 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 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END