PUBCHEM-ZINC04544064 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 52 0 0 1 0 0 0 0 0999 V2000 0.2640 1.4780 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0080 -0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0550 -0.2410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -0.8520 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -1.5350 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.7630 2.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -1.4500 3.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2840 -2.5000 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.8160 3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -1.3720 4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -0.5790 4.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.4350 -1.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -0.1910 -2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 0.5000 -2.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.8380 -3.8740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3030 -0.4040 -3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -2.3640 -3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -2.9770 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -4.4350 -4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -5.0490 -5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -6.3890 -5.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -7.1500 -5.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -6.7730 -6.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 -8.5040 -5.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -0.4140 -5.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -0.8600 -5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -1.6830 -4.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -0.2400 -6.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.7140 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 2.0850 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 1.7910 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.2150 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.2360 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -1.3320 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -0.8510 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.9580 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.6020 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -2.8610 -3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.9150 -5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -2.4110 -4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -4.4960 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -5.0210 -4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -5.1000 -6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -4.4520 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -6.7670 -4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -8.9360 -4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -9.1740 -6.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -8.4040 -4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.2640 -5.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.6440 -7.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -0.4710 -6.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 0.8460 -6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -2.1020 5.5250 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 36 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 25 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 53 -1 M END