PUBCHEM-ZINC05455291 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.4860 1.6050 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 0.0760 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -0.4780 1.4440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3270 0.3090 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -1.4060 2.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -1.9480 1.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6030 -2.8080 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.4350 0.4340 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.2730 2.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7590 -3.3240 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.9170 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -1.9110 4.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -1.3370 3.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -1.5950 4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -2.6640 4.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -0.4010 4.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7080 0.5240 4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -0.3800 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 0.6830 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 0.7020 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7290 -0.3400 2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5480 -1.4030 2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4430 -1.4250 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -0.0750 6.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -1.0270 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -2.2740 0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -0.5110 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 1.9480 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 2.0060 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 2.0570 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.4620 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 1.5040 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 1.5300 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5900 -0.3250 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2640 -2.2200 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -2.2680 4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -0.7390 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -0.1300 7.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 0.9570 6.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -0.2120 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -1.6060 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.1530 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -0.4540 6.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 -1.4190 6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -0.1400 1.0320 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 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 45 -1 M END