PUBCHEM-ZINC05419326 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 1.2500 2.1290 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.7710 -0.4930 S 0 3 0 0 0 0 0 0 0 0 0 0 0.5770 -0.4960 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -0.3430 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.4820 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 0.2020 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 0.8740 -2.8870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7570 1.9500 -2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 0.2270 -4.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3330 -0.1740 -3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -0.8420 -4.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5170 -1.7010 -3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.2410 -4.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6130 -1.0460 -3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.7000 -3.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.4340 -5.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 1.6010 -5.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 1.9810 -6.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 1.0030 -6.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 0.0290 -5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -1.0530 -5.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -1.1090 -6.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -0.2380 -6.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 0.8460 -7.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 1.7510 -8.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -0.9950 -5.8630 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6450 1.1890 -5.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 0.6130 -5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 1.7980 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 2.9270 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.5380 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.4800 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -0.4420 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 0.6220 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -0.3270 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -2.4530 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -1.5060 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 0.4310 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -0.8860 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 2.1390 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -1.9650 -5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 2.5590 -8.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 1.5750 -8.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -1.2990 3.9580 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.0750 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -1.2800 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -0.4350 4.5020 H 0 0 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 6 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 36 1 0 0 0 0 5 37 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 2 1 M CHG 1 26 -1 M CHG 1 44 1 M END