PUBCHEM-ZINC06489662 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -1.0230 -1.0370 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.9120 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.9480 -0.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2900 -0.1810 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.2840 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -2.3360 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -3.5550 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -4.7380 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -4.7030 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -3.4850 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -0.5150 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -1.2980 -0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 0.8590 -0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 1.5040 -0.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5660 0.9410 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 3.0340 -0.9920 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6830 3.3370 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 3.2070 0.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 1.9060 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 1.3240 1.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 4.4060 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 5.5090 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 5.4970 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 3.8590 -1.2740 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 6.8800 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 7.7970 0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 9.1040 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 9.5460 1.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 9.9490 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 4.4950 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 4.4500 2.4170 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5610 -0.2500 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.0070 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.9430 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 0.0350 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.7020 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.4270 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -3.5800 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -5.6850 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -5.6230 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -3.4800 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 1.4630 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 6.1560 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 5.8770 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 7.1870 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 6.9150 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 9.8280 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 11.0010 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 9.6690 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 4.6570 3.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 2 0 0 0 0 M CHG 1 31 -1 M END