PUBCHEM-ZINC03024598 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.2100 1.7030 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 0.1830 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -0.3990 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.9290 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -2.5120 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -4.0530 2.4520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4520 -4.4010 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -4.5760 3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -5.1960 3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -5.5270 5.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -6.1570 5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -6.3300 7.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -5.8870 7.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -5.2600 7.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -5.0940 5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -4.5240 4.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -4.1290 5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -5.4360 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -4.5460 1.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9090 -3.5040 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -4.6800 1.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -5.4790 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -6.2150 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -5.4810 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -4.6550 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 -5.4990 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 2.0760 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 2.0970 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 2.0980 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -0.1580 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.1800 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -0.0530 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.0300 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.2700 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -2.2910 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -2.1200 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -2.1390 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -6.5060 5.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -6.8150 7.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -6.0300 8.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -4.9160 7.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -5.2170 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -6.4960 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.4630 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -5.9670 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -6.0420 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -3.8130 -0.8530 O 0 5 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 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 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 M CHG 1 47 -1 M END