PUBCHEM-ZINC05714125 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.7360 0.2400 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.6460 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.0300 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -2.0100 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -0.9490 -0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 0.0320 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.2260 -1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -0.5310 -2.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 0.2260 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -0.7400 -4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -1.9420 -4.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 -0.1290 -4.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 -0.8370 -5.8650 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8350 -1.7170 -6.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 -1.2120 -5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 -2.3030 -4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -2.1480 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -3.3810 -2.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 -3.5590 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 -4.3510 -3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -3.7040 -4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 -4.4820 -5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 -5.8690 -5.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 -6.4850 -4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 -5.7370 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 0.0850 -7.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 1.3240 -6.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 1.2500 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.1740 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 0.3370 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 0.0500 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -0.6350 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 0.9740 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -2.4990 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.6860 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -1.9150 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -1.5380 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 0.8750 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 0.8380 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 0.8830 -5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -1.5420 -5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 -0.3250 -4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 -1.2620 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -4.0060 -6.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -6.4670 -6.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 -7.5640 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 -6.2160 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 -0.5010 -8.0110 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 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 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 48 -1 M END